2-prop-1-en-2-ylcyclopent-3-en-1-one

C8H10O — CID 143471642

IUPAC2-prop-1-en-2-ylcyclopent-3-en-1-one
SMILESC=C(C)C1C=CCC1=O
InChIInChI=1S/C8H10O/c1-6(2)7-4-3-5-8(7)9/h3-4,7H,1,5H2,2H3
InChIKeyWPFPASUISSPEFR-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.71
Rot. Bonds1

About 2-prop-1-en-2-ylcyclopent-3-en-1-one

2-prop-1-en-2-ylcyclopent-3-en-1-one (PubChem CID 143471642) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-prop-1-en-2-ylcyclopent-3-en-1-one.

Molecular Properties

Compound Name2-prop-1-en-2-ylcyclopent-3-en-1-one
PubChem CID143471642
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-prop-1-en-2-ylcyclopent-3-en-1-one
SMILESC=C(C)C1C=CCC1=O
InChIInChI=1S/C8H10O/c1-6(2)7-4-3-5-8(7)9/h3-4,7H,1,5H2,2H3
InChIKeyWPFPASUISSPEFR-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropanoyl)cyclopent-3-en-1-one
CID 91430127
bicyclo[4.2.0]oct-4-ene-2,7-dione
CID 130037819
4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
5-amino-6-methylcyclohex-3-en-1-one
CID 175829218
5-acetylcyclohex-3-en-1-one
CID 45085527
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
7-oxabicyclo[4.1.0]hept-4-en-2-one
CID 88598101
(3aS,6aR)-6-prop-1-en-2-yl-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
CID 130906170
6-methylidene-2,4a,5,7,8,8a-hexahydronaphthalen-1-one
CID 123297346
4,5-bis(prop-1-en-2-yl)cyclohexene
CID 168967391
5-hydroxycyclohex-3-en-1-one
CID 54115157
4,5-dimethyl-6-prop-1-en-2-yl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one
CID 11492228

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-en-2-ylcyclopent-3-en-1-one?
The IUPAC name of 2-prop-1-en-2-ylcyclopent-3-en-1-one (CID 143471642) is 2-prop-1-en-2-ylcyclopent-3-en-1-one.
What is the SMILES notation for 2-prop-1-en-2-ylcyclopent-3-en-1-one?
The canonical SMILES for 2-prop-1-en-2-ylcyclopent-3-en-1-one is C=C(C)C1C=CCC1=O.
What is the InChIKey of 2-prop-1-en-2-ylcyclopent-3-en-1-one?
The InChIKey is WPFPASUISSPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-6(2)7-4-3-5-8(7)9/h3-4,7H,1,5H2,2H3.
What are the key properties of 2-prop-1-en-2-ylcyclopent-3-en-1-one?
2-prop-1-en-2-ylcyclopent-3-en-1-one has a molecular weight of 122.17 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-en-2-ylcyclopent-3-en-1-one is sourced from PubChem (CID 143471642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).