(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione

C17H12O3 — CID 10451443

IUPAC(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione
SMILESCc1ccc2c(c1)C=C/C(=C1\C=CC=CC(=O)C1=O)O2
InChIInChI=1S/C17H12O3/c1-11-6-8-15-12(10-11)7-9-16(20-15)13-4-2-3-5-14(18)17(13)19/h2-10H,1H3/b16-13-
InChIKeyQJINGXIRHMQDSW-SSZFMOIBSA-N
MW264.28 g/mol
LogP2.92
Rot. Bonds

About (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione

(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione (PubChem CID 10451443) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione.

Molecular Properties

Compound Name(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione
PubChem CID10451443
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione
SMILESCc1ccc2c(c1)C=C/C(=C1\C=CC=CC(=O)C1=O)O2
InChIInChI=1S/C17H12O3/c1-11-6-8-15-12(10-11)7-9-16(20-15)13-4-2-3-5-14(18)17(13)19/h2-10H,1H3/b16-13-
InChIKeyQJINGXIRHMQDSW-SSZFMOIBSA-N
XLogP2.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-8-methylbenzo[b][1]benzoxepine
CID 174356517
7-methyl-3H-1-benzoxepin-2-one
CID 101054768
2,8-dimethylphenoxathiine 10-oxide
CID 139056216
5-methyl-1-benzofuran-2,3-dione
CID 56974146
(3Z,22Z)-7,19-dimethyl-13,33-dimethylidene-11,15,31,35-tetraoxapentacyclo[34.4.0.05,10.016,21.025,30]tetraconta-1(40),3,5(10),6,8,16(21),17,19,22,25,27,29,36,38-tetradecaene-2,24-dione
CID 102018060
6-methyl-1-benzofuran-2,3-dione
CID 14737142
2,7-dimethyl-3H-xanthene
CID 54345307
2,8,10-trimethylphenoxazine
CID 20781562
N-benzo[b][1]benzoxepin-2-yl-4-methylbenzenesulfonamide
CID 169373402
10-cyclopenta-2,4-dien-1-yl-2,8-dimethylphenoxaphosphinine
CID 102041839
7-methyl-3-methylidenechromene-2,4-dione
CID 54426714
3,3,6-trimethyl-4H-1,4-benzoxazin-2-one
CID 115095300

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione?
The IUPAC name of (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione (CID 10451443) is (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione.
What is the SMILES notation for (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione?
The canonical SMILES for (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione is Cc1ccc2c(c1)C=C/C(=C1\C=CC=CC(=O)C1=O)O2.
What is the InChIKey of (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione?
The InChIKey is QJINGXIRHMQDSW-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H12O3/c1-11-6-8-15-12(10-11)7-9-16(20-15)13-4-2-3-5-14(18)17(13)19/h2-10H,1H3/b16-13-.
What are the key properties of (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione?
(7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione has a molecular weight of 264.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(6-methylchromen-2-ylidene)cyclohepta-3,5-diene-1,2-dione is sourced from PubChem (CID 10451443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).