2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone

C9H4O — CID 91564060

IUPAC2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone
SMILESO=C=C=c1cccc2c1=C2
InChIInChI=1S/C9H4O/c10-5-4-7-2-1-3-8-6-9(7)8/h1-3,6H
InChIKeyAMVMAMQNQDRPLH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.40
Rot. Bonds

About 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone

2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone (PubChem CID 91564060) has the molecular formula C9H4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone.

Molecular Properties

Compound Name2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone
PubChem CID91564060
Molecular FormulaC9H4O
Molecular Weight128.13 g/mol
Exact Mass128.03
IUPAC Name2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone
SMILESO=C=C=c1cccc2c1=C2
InChIInChI=1S/C9H4O/c10-5-4-7-2-1-3-8-6-9(7)8/h1-3,6H
InChIKeyAMVMAMQNQDRPLH-UHFFFAOYSA-N
XLogP-0.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.40
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

2-inden-1-ylideneethenone
CID 15416513
2-methyl-4-(2-methylinden-4-ylidene)indene
CID 166038556
methanediimine;1-methylidenefluorene
CID 146453821
1-ethenylidenefluorene;1H-phenalene
CID 174659781
hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1,3,5,7,9,12(23),13,15,17,19,21-undecaen-11-one
CID 87350060
carbon dioxide;1,3-xylene
CID 160806691
2-cyclopropylideneethenone
CID 101030698
2,6-bis(4-iodophenyl)pyridine
CID 151922265
isocyanic acid;methane;toluene
CID 175045827
carbon dioxide;phenylmethanamine
CID 123245363
isocyanic acid;triphenylene
CID 172793040
isocyanic acid;naphthalene
CID 87060346

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone?
The IUPAC name of 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone (CID 91564060) is 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone.
What is the SMILES notation for 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone?
The canonical SMILES for 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone is O=C=C=c1cccc2c1=C2.
What is the InChIKey of 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone?
The InChIKey is AMVMAMQNQDRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4O/c10-5-4-7-2-1-3-8-6-9(7)8/h1-3,6H.
What are the key properties of 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone?
2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone has a molecular weight of 128.13 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.1.0]hepta-1(7),3,5-trienylidene)ethenone is sourced from PubChem (CID 91564060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).