4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane

C12H24N2O2 — CID 142187713

IUPAC4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane
SMILESCC.CN1CCCC2OCC(=O)N(C)C2C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-11-5-3-4-9-8(6-11)12(2)10(13)7-14-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyQPVIVCDGOADWHK-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.96
Rot. Bonds

About 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane

4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane (PubChem CID 142187713) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane.

Molecular Properties

Compound Name4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane
PubChem CID142187713
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane
SMILESCC.CN1CCCC2OCC(=O)N(C)C2C1
InChIInChI=1S/C10H18N2O2.C2H6/c1-11-5-3-4-9-8(6-11)12(2)10(13)7-14-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3
InChIKeyQPVIVCDGOADWHK-UHFFFAOYSA-N
XLogP0.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane?
The IUPAC name of 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane (CID 142187713) is 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane.
What is the SMILES notation for 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane?
The canonical SMILES for 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane is CC.CN1CCCC2OCC(=O)N(C)C2C1.
What is the InChIKey of 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane?
The InChIKey is QPVIVCDGOADWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2.C2H6/c1-11-5-3-4-9-8(6-11)12(2)10(13)7-14-9;1-2/h8-9H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane?
4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane has a molecular weight of 228.34 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4a,5,7,8,9,9a-hexahydro-[1,4]oxazino[3,2-c]azepin-3-one;ethane is sourced from PubChem (CID 142187713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).