2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate

C21H15O2- — CID 18724779

IUPAC2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate
SMILESO=C1/C(=C\C=C\C2=C([O-])c3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C21H16O2/c22-20-16(12-14-6-1-3-10-18(14)20)8-5-9-17-13-15-7-2-4-11-19(15)21(17)23/h1-11,22H,12-13H2/p-1/b8-5+,17-9-
InChIKeyNVNLYYCCQKBVOW-WIXUPIFPSA-M
MW299.35 g/mol
LogP3.24
Rot. Bonds2

About 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate

2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate (PubChem CID 18724779) has the molecular formula C21H15O2- and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate.

Molecular Properties

Compound Name2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate
PubChem CID18724779
Molecular FormulaC21H15O2-
Molecular Weight299.35 g/mol
Exact Mass299.11
IUPAC Name2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate
SMILESO=C1/C(=C\C=C\C2=C([O-])c3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C21H16O2/c22-20-16(12-14-6-1-3-10-18(14)20)8-5-9-17-13-15-7-2-4-11-19(15)21(17)23/h1-11,22H,12-13H2/p-1/b8-5+,17-9-
InChIKeyNVNLYYCCQKBVOW-WIXUPIFPSA-M
XLogP3.24
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate with MolForge

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Related Compounds

2-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-3H-inden-1-olate
CID 18724770
2-[5-(1,3-dioxo-4H-naphthalen-2-ylidene)penta-1,3-dienyl]-3-oxo-4H-naphthalen-1-olate
CID 123808299
(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
2-ethylidene-3H-inden-1-one
CID 58198195
2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3H-inden-1-one
CID 5001252
10H-anthracen-9-one;fluoren-9-one
CID 67642372
2-propylidene-3H-inden-1-one
CID 131043443
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
(2E)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
CID 5358072
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
(2E)-2-[(2-bromophenyl)methylidene]-3H-inden-1-one
CID 2623394

Frequently Asked Questions

What is the IUPAC name of 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate?
The IUPAC name of 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate (CID 18724779) is 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate.
What is the SMILES notation for 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate?
The canonical SMILES for 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate is O=C1/C(=C\C=C\C2=C([O-])c3ccccc3C2)Cc2ccccc21.
What is the InChIKey of 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate?
The InChIKey is NVNLYYCCQKBVOW-WIXUPIFPSA-M. The full InChI is InChI=1S/C21H16O2/c22-20-16(12-14-6-1-3-10-18(14)20)8-5-9-17-13-15-7-2-4-11-19(15)21(17)23/h1-11,22H,12-13H2/p-1/b8-5+,17-9-.
What are the key properties of 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate?
2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate has a molecular weight of 299.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,3Z)-3-(3-oxo-1H-inden-2-ylidene)prop-1-enyl]-3H-inden-1-olate is sourced from PubChem (CID 18724779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).