(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione

C17H13NO2 — CID 50990375

IUPAC(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione
SMILESO=C1C/C(=C/c2ccccc2)C(=O)c2ccccc2N1
InChIInChI=1S/C17H13NO2/c19-16-11-13(10-12-6-2-1-3-7-12)17(20)14-8-4-5-9-15(14)18-16/h1-10H,11H2,(H,18,19)/b13-10-
InChIKeyOMXPEFBXZUCIFX-RAXLEYEMSA-N
MW263.30 g/mol
LogP3.30
Rot. Bonds1

About (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione

(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione (PubChem CID 50990375) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione.

Molecular Properties

Compound Name(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione
PubChem CID50990375
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione
SMILESO=C1C/C(=C/c2ccccc2)C(=O)c2ccccc2N1
InChIInChI=1S/C17H13NO2/c19-16-11-13(10-12-6-2-1-3-7-12)17(20)14-8-4-5-9-15(14)18-16/h1-10H,11H2,(H,18,19)/b13-10-
InChIKeyOMXPEFBXZUCIFX-RAXLEYEMSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(hydroxymethylidene)-1H-1-benzazepine-2,5-dione
CID 5468963
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
(2E,5'E)-2,5'-dibenzylidenespiro[3H-naphthalene-4,3'-piperidine]-1,2',6'-trione
CID 24813481
(4Z)-4-benzylidene-2,3-dihydronaphthalen-1-one
CID 10399128
(2Z)-2-(pyridin-4-ylmethylidene)-1H-indol-3-one
CID 6051558
(2E)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
CID 5358072
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
(6E)-2,6-dibenzylidenecyclohexan-1-one
CID 1240877
copper;1H-indole-2,3-dione
CID 70626411
4-(2-phenylethenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 621552
(2E,8E)-2,8-dibenzylidenecyclooctan-1-one
CID 6439695
(2Z)-2-[(4-ethylphenyl)methylidene]-3H-inden-1-one
CID 2697157

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione?
The IUPAC name of (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione (CID 50990375) is (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione.
What is the SMILES notation for (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione?
The canonical SMILES for (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione is O=C1C/C(=C/c2ccccc2)C(=O)c2ccccc2N1.
What is the InChIKey of (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione?
The InChIKey is OMXPEFBXZUCIFX-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-11-13(10-12-6-2-1-3-7-12)17(20)14-8-4-5-9-15(14)18-16/h1-10H,11H2,(H,18,19)/b13-10-.
What are the key properties of (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione?
(4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-benzylidene-1H-1-benzazepine-2,5-dione is sourced from PubChem (CID 50990375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).