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

C10H13NO — CID 67378863

IUPAC7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one
SMILESO=C1CCCCC2=CC=CCN12
InChIInChI=1S/C10H13NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h3-4,6H,1-2,5,7-8H2
InChIKeyVBKLEFBWYGHMQX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds

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

7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one (PubChem CID 67378863) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one
PubChem CID67378863
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one
SMILESO=C1CCCCC2=CC=CCN12
InChIInChI=1S/C10H13NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h3-4,6H,1-2,5,7-8H2
InChIKeyVBKLEFBWYGHMQX-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one?
The IUPAC name of 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one (CID 67378863) is 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one.
What is the SMILES notation for 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one?
The canonical SMILES for 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one is O=C1CCCCC2=CC=CCN12.
What is the InChIKey of 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one?
The InChIKey is VBKLEFBWYGHMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c12-10-7-2-1-5-9-6-3-4-8-11(9)10/h3-4,6H,1-2,5,7-8H2.
What are the key properties of 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one?
7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one has a molecular weight of 163.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-4H-pyrido[1,2-a]azepin-6-one is sourced from PubChem (CID 67378863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).