6,8-dihydropyrido[3,4-c]azepin-7-one

C9H8N2O — CID 157349684

IUPAC6,8-dihydropyrido[3,4-c]azepin-7-one
SMILESO=C1CC=c2ccncc2=CN1
InChIInChI=1S/C9H8N2O/c12-9-2-1-7-3-4-10-5-8(7)6-11-9/h1,3-6H,2H2,(H,11,12)
InChIKeyBHJOEQZXNHUSBT-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.88
Rot. Bonds

About 6,8-dihydropyrido[3,4-c]azepin-7-one

6,8-dihydropyrido[3,4-c]azepin-7-one (PubChem CID 157349684) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6,8-dihydropyrido[3,4-c]azepin-7-one.

Molecular Properties

Compound Name6,8-dihydropyrido[3,4-c]azepin-7-one
PubChem CID157349684
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6,8-dihydropyrido[3,4-c]azepin-7-one
SMILESO=C1CC=c2ccncc2=CN1
InChIInChI=1S/C9H8N2O/c12-9-2-1-7-3-4-10-5-8(7)6-11-9/h1,3-6H,2H2,(H,11,12)
InChIKeyBHJOEQZXNHUSBT-UHFFFAOYSA-N
XLogP-0.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydropyrido[3,4-c]azepin-7-one?
The IUPAC name of 6,8-dihydropyrido[3,4-c]azepin-7-one (CID 157349684) is 6,8-dihydropyrido[3,4-c]azepin-7-one.
What is the SMILES notation for 6,8-dihydropyrido[3,4-c]azepin-7-one?
The canonical SMILES for 6,8-dihydropyrido[3,4-c]azepin-7-one is O=C1CC=c2ccncc2=CN1.
What is the InChIKey of 6,8-dihydropyrido[3,4-c]azepin-7-one?
The InChIKey is BHJOEQZXNHUSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-2-1-7-3-4-10-5-8(7)6-11-9/h1,3-6H,2H2,(H,11,12).
What are the key properties of 6,8-dihydropyrido[3,4-c]azepin-7-one?
6,8-dihydropyrido[3,4-c]azepin-7-one has a molecular weight of 160.18 g/mol, XLogP of -0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydropyrido[3,4-c]azepin-7-one is sourced from PubChem (CID 157349684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).