4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride

C11H17ClN2O — CID 23311118

IUPAC4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
SMILESCc1c(N)n2c(cc1=O)CCCCC2.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-10(14)7-9-5-3-2-4-6-13(9)11(8)12;/h7H,2-6,12H2,1H3;1H
InChIKeyXZAKSQRKEJAHBA-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.89
Rot. Bonds

About 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride

4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride (PubChem CID 23311118) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
PubChem CID23311118
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride
SMILESCc1c(N)n2c(cc1=O)CCCCC2.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-10(14)7-9-5-3-2-4-6-13(9)11(8)12;/h7H,2-6,12H2,1H3;1H
InChIKeyXZAKSQRKEJAHBA-UHFFFAOYSA-N
XLogP1.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The IUPAC name of 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride (CID 23311118) is 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride.
What is the SMILES notation for 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The canonical SMILES for 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride is Cc1c(N)n2c(cc1=O)CCCCC2.Cl.
What is the InChIKey of 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
The InChIKey is XZAKSQRKEJAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-10(14)7-9-5-3-2-4-6-13(9)11(8)12;/h7H,2-6,12H2,1H3;1H.
What are the key properties of 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride?
4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one;hydrochloride is sourced from PubChem (CID 23311118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).