(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

C16H18N2O3 — CID 2310797

IUPAC(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCOc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1O
InChIInChI=1S/C16H18N2O3/c1-21-14-10-11(6-7-13(14)19)9-12-16(20)18-8-4-2-3-5-15(18)17-12/h6-7,9-10,19H,2-5,8H2,1H3/b12-9-
InChIKeyUVFSUSSIXDOCCM-XFXZXTDPSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds2

About (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (PubChem CID 2310797) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
PubChem CID2310797
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCOc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1O
InChIInChI=1S/C16H18N2O3/c1-21-14-10-11(6-7-13(14)19)9-12-16(20)18-8-4-2-3-5-15(18)17-12/h6-7,9-10,19H,2-5,8H2,1H3/b12-9-
InChIKeyUVFSUSSIXDOCCM-XFXZXTDPSA-N
XLogP2.56
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one 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 (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The IUPAC name of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (CID 2310797) is (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.
What is the SMILES notation for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The canonical SMILES for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1O.
What is the InChIKey of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The InChIKey is UVFSUSSIXDOCCM-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-10-11(6-7-13(14)19)9-12-16(20)18-8-4-2-3-5-15(18)17-12/h6-7,9-10,19H,2-5,8H2,1H3/b12-9-.
What are the key properties of (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is sourced from PubChem (CID 2310797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).