3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one

C10H17NO — CID 82652778

IUPAC3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one
SMILESO=C1CCN2CCCCCC2C1
InChIInChI=1S/C10H17NO/c12-10-5-7-11-6-3-1-2-4-9(11)8-10/h9H,1-8H2
InChIKeyFEGPBJBLLLAVOF-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds

About 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one

3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one (PubChem CID 82652778) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one.

Molecular Properties

Compound Name3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one
PubChem CID82652778
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one
SMILESO=C1CCN2CCCCCC2C1
InChIInChI=1S/C10H17NO/c12-10-5-7-11-6-3-1-2-4-9(11)8-10/h9H,1-8H2
InChIKeyFEGPBJBLLLAVOF-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one?
The IUPAC name of 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one (CID 82652778) is 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one.
What is the SMILES notation for 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one?
The canonical SMILES for 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one is O=C1CCN2CCCCCC2C1.
What is the InChIKey of 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one?
The InChIKey is FEGPBJBLLLAVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-5-7-11-6-3-1-2-4-9(11)8-10/h9H,1-8H2.
What are the key properties of 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one?
3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-2-one is sourced from PubChem (CID 82652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).