2-inden-1-ylideneethenone

C11H6O — CID 15416513

IUPAC2-inden-1-ylideneethenone
SMILESO=C=C=C1C=Cc2ccccc21
InChIInChI=1S/C11H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-6H
InChIKeyZMCTUNMWLPNIKJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP2.08
Rot. Bonds

About 2-inden-1-ylideneethenone

2-inden-1-ylideneethenone (PubChem CID 15416513) has the molecular formula C11H6O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-inden-1-ylideneethenone.

Molecular Properties

Compound Name2-inden-1-ylideneethenone
PubChem CID15416513
Molecular FormulaC11H6O
Molecular Weight154.17 g/mol
Exact Mass154.04
IUPAC Name2-inden-1-ylideneethenone
SMILESO=C=C=C1C=Cc2ccccc21
InChIInChI=1S/C11H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-6H
InChIKeyZMCTUNMWLPNIKJ-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(8Z)-pentacyclo[14.8.0.02,7.010,15.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
CID 177396805
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
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CID 14290121
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3-inden-1-ylideneindene-1,2-dione
CID 67892822
(3E)-3-inden-1-ylidene-2,2-dimethylpropanenitrile
CID 11008841
bis([4-[(E)-inden-1-ylidenemethyl]phenyl]azanide);platinum(4+);dichloride
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Frequently Asked Questions

What is the IUPAC name of 2-inden-1-ylideneethenone?
The IUPAC name of 2-inden-1-ylideneethenone (CID 15416513) is 2-inden-1-ylideneethenone.
What is the SMILES notation for 2-inden-1-ylideneethenone?
The canonical SMILES for 2-inden-1-ylideneethenone is O=C=C=C1C=Cc2ccccc21.
What is the InChIKey of 2-inden-1-ylideneethenone?
The InChIKey is ZMCTUNMWLPNIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-6H.
What are the key properties of 2-inden-1-ylideneethenone?
2-inden-1-ylideneethenone has a molecular weight of 154.17 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-inden-1-ylideneethenone is sourced from PubChem (CID 15416513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).