(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C83H159N19O8 — CID 160661089

IUPAC(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)COCCN2.CN1CCC2(CCCC2)CC1.CN1CCC2(CCNC2=O)CC1.CN1CCN2C(=O)CCC2C1.CN1CCN2C(=O)CCC2C1.CN1CCN2CCCC2C1.CN1CCN2CCOCC2C1.CN1CCN2CCOC[C@@H]2C1.CN1CCN2CCOC[C@H]2C1.CN1C[C@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H19N.C9H18N2O.C9H16N2O.3C8H16N2O.2C8H14N2O.C8H16N2.C7H14N2O/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-11-5-2-9(3-6-11)8-12-7-4-10-9;1-11-6-3-9(4-7-11)2-5-10-8(9)12;3*1-9-2-3-10-4-5-11-7-8(10)6-9;2*1-9-4-5-10-7(6-9)2-3-8(10)11;1-9-5-6-10-4-2-3-8(10)7-9;1-9-4-6-7(5-9)10-3-2-8-6/h2-9H2,1H3;10H,2-8H2,1H3;2-7H2,1H3,(H,10,12);3*8H,2-7H2,1H3;2*7H,2-6H2,1H3;8H,2-7H2,1H3;6-8H,2-5H2,1H3/t;;;2*8-;;;;;6-,7-/m...10....1/s1
InChIKeyRLRIUGGUHYTYMN-DCTHFBCBSA-N
MW1551.31 g/mol
LogP0.99
Rot. Bonds

About (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 160661089) has the molecular formula C83H159N19O8 and a molecular weight of 1551.31 g/mol. Its IUPAC name is (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID160661089
Molecular FormulaC83H159N19O8
Molecular Weight1551.31 g/mol
Exact Mass1550.26
IUPAC Name(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)COCCN2.CN1CCC2(CCCC2)CC1.CN1CCC2(CCNC2=O)CC1.CN1CCN2C(=O)CCC2C1.CN1CCN2C(=O)CCC2C1.CN1CCN2CCCC2C1.CN1CCN2CCOCC2C1.CN1CCN2CCOC[C@@H]2C1.CN1CCN2CCOC[C@H]2C1.CN1C[C@H]2NCCO[C@@H]2C1
InChIInChI=1S/C10H19N.C9H18N2O.C9H16N2O.3C8H16N2O.2C8H14N2O.C8H16N2.C7H14N2O/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-11-5-2-9(3-6-11)8-12-7-4-10-9;1-11-6-3-9(4-7-11)2-5-10-8(9)12;3*1-9-2-3-10-4-5-11-7-8(10)6-9;2*1-9-4-5-10-7(6-9)2-3-8(10)11;1-9-5-6-10-4-2-3-8(10)7-9;1-9-4-6-7(5-9)10-3-2-8-6/h2-9H2,1H3;10H,2-8H2,1H3;2-7H2,1H3,(H,10,12);3*8H,2-7H2,1H3;2*7H,2-6H2,1H3;8H,2-7H2,1H3;6-8H,2-5H2,1H3/t;;;2*8-;;;;;6-,7-/m...10....1/s1
InChIKeyRLRIUGGUHYTYMN-DCTHFBCBSA-N
XLogP0.99
TPSA185.29 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001551.31
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 160661089) is (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)COCCN2.CN1CCC2(CCCC2)CC1.CN1CCC2(CCNC2=O)CC1.CN1CCN2C(=O)CCC2C1.CN1CCN2C(=O)CCC2C1.CN1CCN2CCCC2C1.CN1CCN2CCOCC2C1.CN1CCN2CCOC[C@@H]2C1.CN1CCN2CCOC[C@H]2C1.CN1C[C@H]2NCCO[C@@H]2C1.
What is the InChIKey of (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is RLRIUGGUHYTYMN-DCTHFBCBSA-N. The full InChI is InChI=1S/C10H19N.C9H18N2O.C9H16N2O.3C8H16N2O.2C8H14N2O.C8H16N2.C7H14N2O/c1-11-8-6-10(7-9-11)4-2-3-5-10;1-11-5-2-9(3-6-11)8-12-7-4-10-9;1-11-6-3-9(4-7-11)2-5-10-8(9)12;3*1-9-2-3-10-4-5-11-7-8(10)6-9;2*1-9-4-5-10-7(6-9)2-3-8(10)11;1-9-5-6-10-4-2-3-8(10)7-9;1-9-4-6-7(5-9)10-3-2-8-6/h2-9H2,1H3;10H,2-8H2,1H3;2-7H2,1H3,(H,10,12);3*8H,2-7H2,1H3;2*7H,2-6H2,1H3;8H,2-7H2,1H3;6-8H,2-5H2,1H3/t;;;2*8-;;;;;6-,7-/m...10....1/s1.
What are the key properties of (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
(4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 1551.31 g/mol, XLogP of 0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine;(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(2-methyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one);8-methyl-8-azaspiro[4.5]decane;8-methyl-2,8-diazaspiro[4.5]decan-1-one;9-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 160661089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).