1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride

C9H9ClN2O — CID 170312438

IUPAC1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)C=NC=CC2
InChIInChI=1S/C9H8N2O.ClH/c12-9-4-3-7-2-1-5-10-6-8(7)11-9;/h1,3-6H,2H2,(H,11,12);1H
InChIKeyLLUOCNMWACWQOU-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.29
Rot. Bonds

About 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride

1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride (PubChem CID 170312438) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride.

Molecular Properties

Compound Name1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride
PubChem CID170312438
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)C=NC=CC2
InChIInChI=1S/C9H8N2O.ClH/c12-9-4-3-7-2-1-5-10-6-8(7)11-9;/h1,3-6H,2H2,(H,11,12);1H
InChIKeyLLUOCNMWACWQOU-UHFFFAOYSA-N
XLogP1.29
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride?
The IUPAC name of 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride (CID 170312438) is 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride.
What is the SMILES notation for 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride?
The canonical SMILES for 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride is Cl.O=c1ccc2c([nH]1)C=NC=CC2.
What is the InChIKey of 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride?
The InChIKey is LLUOCNMWACWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.ClH/c12-9-4-3-7-2-1-5-10-6-8(7)11-9;/h1,3-6H,2H2,(H,11,12);1H.
What are the key properties of 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride?
1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydropyrido[2,3-c]azepin-2-one;hydrochloride is sourced from PubChem (CID 170312438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).