4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one

C16H22N2O — CID 23311117

IUPAC4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESC=CCN(CC=C)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C16H22N2O/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16/h3-4,12-13H,1-2,5-11H2
InChIKeyRHMYOZMHTRSZNT-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.75
Rot. Bonds5

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

4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (PubChem CID 23311117) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
PubChem CID23311117
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one
SMILESC=CCN(CC=C)c1cc(=O)cc2n1CCCCC2
InChIInChI=1S/C16H22N2O/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16/h3-4,12-13H,1-2,5-11H2
InChIKeyRHMYOZMHTRSZNT-UHFFFAOYSA-N
XLogP2.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one (CID 23311117) is 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one is C=CCN(CC=C)c1cc(=O)cc2n1CCCCC2.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
The InChIKey is RHMYOZMHTRSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-9-17(10-4-2)16-13-15(19)12-14-8-6-5-7-11-18(14)16/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one?
4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one has a molecular weight of 258.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-2-one is sourced from PubChem (CID 23311117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).