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

C10H14N2O — CID 13409840

IUPAC4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESNc1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C10H14N2O/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10/h6-7H,1-5,11H2
InChIKeyULPNNHGCLRCGRN-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.16
Rot. Bonds

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

4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (PubChem CID 13409840) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.

Molecular Properties

Compound Name4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
PubChem CID13409840
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESNc1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C10H14N2O/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10/h6-7H,1-5,11H2
InChIKeyULPNNHGCLRCGRN-UHFFFAOYSA-N
XLogP1.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The IUPAC name of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (CID 13409840) is 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.
What is the SMILES notation for 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The canonical SMILES for 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one is Nc1cc(=O)cc2n1CCCCC2.
What is the InChIKey of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The InChIKey is ULPNNHGCLRCGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-10-7-9(13)6-8-4-2-1-3-5-12(8)10/h6-7H,1-5,11H2.
What are the key properties of 4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
4-amino-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 13409840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).