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

C10H15ClN2O — CID 23311123

IUPAC4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
SMILESCl.Nc1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C10H14N2O.ClH/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10;/h6-7H,1-5,11H2;1H
InChIKeyCQTCEKJIGLYYJG-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.58
Rot. Bonds

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

4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride (PubChem CID 23311123) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
PubChem CID23311123
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
SMILESCl.Nc1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C10H14N2O.ClH/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10;/h6-7H,1-5,11H2;1H
InChIKeyCQTCEKJIGLYYJG-UHFFFAOYSA-N
XLogP1.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The IUPAC name of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride (CID 23311123) is 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride.
What is the SMILES notation for 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The canonical SMILES for 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride is Cl.Nc1cc(=O)cc2n1CCCCC2.
What is the InChIKey of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The InChIKey is CQTCEKJIGLYYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10;/h6-7H,1-5,11H2;1H.
What are the key properties of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride is sourced from PubChem (CID 23311123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).