(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride

C10H20Cl2N2O — CID 154919965

IUPAC(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1
InChIInChI=1S/C10H18N2O.2ClH/c11-8-3-9-6-13-10(7-1-2-7)5-12(9)4-8;;/h7-10H,1-6,11H2;2*1H/t8-,9+,10+;;/m1../s1
InChIKeyIXIHDLIWWWTYHG-YDMPKLSESA-N
MW255.19 g/mol
LogP1.04
Rot. Bonds1

About (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride

(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride (PubChem CID 154919965) has the molecular formula C10H20Cl2N2O and a molecular weight of 255.19 g/mol. Its IUPAC name is (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
PubChem CID154919965
Molecular FormulaC10H20Cl2N2O
Molecular Weight255.19 g/mol
Exact Mass254.10
IUPAC Name(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1
InChIInChI=1S/C10H18N2O.2ClH/c11-8-3-9-6-13-10(7-1-2-7)5-12(9)4-8;;/h7-10H,1-6,11H2;2*1H/t8-,9+,10+;;/m1../s1
InChIKeyIXIHDLIWWWTYHG-YDMPKLSESA-N
XLogP1.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride with MolForge

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Related Compounds

(3S,7R,8aS)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
CID 154922217
(3R,5R)-5-cyclopropyloxolan-3-amine
CID 125449018
(3S,7R,8aS)-3-(4-chlorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride
CID 154919733
1-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-phenylurea
CID 154818688
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3,5-dichlorobenzamide
CID 154823870
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-chlorobenzamide
CID 155506929
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutan-1-amine
CID 80561522
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-benzofuran-2-carboxamide
CID 154823074
(3S,7S,8aS)-N-[1-(2-chlorophenyl)piperidin-4-yl]-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine
CID 155500221
N-[(3S,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-cyclopropylpyrimidine-5-carboxamide
CID 155497823
N-[(3R,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1-methylimidazole-2-carboxamide
CID 155493966
N-[(3S,7S,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-4-propan-2-ylbenzenesulfonamide
CID 155500727

Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The IUPAC name of (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride (CID 154919965) is (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride.
What is the SMILES notation for (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The canonical SMILES for (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride is Cl.Cl.N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1.
What is the InChIKey of (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
The InChIKey is IXIHDLIWWWTYHG-YDMPKLSESA-N. The full InChI is InChI=1S/C10H18N2O.2ClH/c11-8-3-9-6-13-10(7-1-2-7)5-12(9)4-8;;/h7-10H,1-6,11H2;2*1H/t8-,9+,10+;;/m1../s1.
What are the key properties of (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride?
(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride has a molecular weight of 255.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-amine;dihydrochloride is sourced from PubChem (CID 154919965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).