2-ethylidene-3H-inden-1-one

C11H10O — CID 58198195

IUPAC2-ethylidene-3H-inden-1-one
SMILESCC=C1Cc2ccccc2C1=O
InChIInChI=1S/C11H10O/c1-2-8-7-9-5-3-4-6-10(9)11(8)12/h2-6H,7H2,1H3
InChIKeyGZLPZYLCQHMQKX-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.37
Rot. Bonds

About 2-ethylidene-3H-inden-1-one

2-ethylidene-3H-inden-1-one (PubChem CID 58198195) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethylidene-3H-inden-1-one.

Molecular Properties

Compound Name2-ethylidene-3H-inden-1-one
PubChem CID58198195
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name2-ethylidene-3H-inden-1-one
SMILESCC=C1Cc2ccccc2C1=O
InChIInChI=1S/C11H10O/c1-2-8-7-9-5-3-4-6-10(9)11(8)12/h2-6H,7H2,1H3
InChIKeyGZLPZYLCQHMQKX-UHFFFAOYSA-N
XLogP2.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-(aminomethylidene)-3H-inden-1-one
CID 3037167
2-propylidene-3H-inden-1-one
CID 131043443
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
(2Z)-2-(2-ethylsulfanylethylidene)-3H-inden-1-one
CID 177419605
2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3H-inden-1-one
CID 5001252
10H-anthracen-9-one;ethane;methanol
CID 90976205
(2Z)-2-[(4-ethylphenyl)methylidene]-3H-inden-1-one
CID 2697157
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460
(2E)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
CID 5358072
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
2-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-3H-inden-1-olate
CID 18724770

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3H-inden-1-one?
The IUPAC name of 2-ethylidene-3H-inden-1-one (CID 58198195) is 2-ethylidene-3H-inden-1-one.
What is the SMILES notation for 2-ethylidene-3H-inden-1-one?
The canonical SMILES for 2-ethylidene-3H-inden-1-one is CC=C1Cc2ccccc2C1=O.
What is the InChIKey of 2-ethylidene-3H-inden-1-one?
The InChIKey is GZLPZYLCQHMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O/c1-2-8-7-9-5-3-4-6-10(9)11(8)12/h2-6H,7H2,1H3.
What are the key properties of 2-ethylidene-3H-inden-1-one?
2-ethylidene-3H-inden-1-one has a molecular weight of 158.20 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3H-inden-1-one is sourced from PubChem (CID 58198195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).