1-(3-methylidenecyclopentyl)ethanone

C8H12O — CID 556899

IUPAC1-(3-methylidenecyclopentyl)ethanone
SMILESC=C1CCC(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h8H,1,3-5H2,2H3
InChIKeyUUQXRVGRNSSICQ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds1

About 1-(3-methylidenecyclopentyl)ethanone

1-(3-methylidenecyclopentyl)ethanone (PubChem CID 556899) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(3-methylidenecyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-methylidenecyclopentyl)ethanone
PubChem CID556899
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(3-methylidenecyclopentyl)ethanone
SMILESC=C1CCC(C(C)=O)C1
InChIInChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h8H,1,3-5H2,2H3
InChIKeyUUQXRVGRNSSICQ-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylidenecyclopentyl)ethanone?
The IUPAC name of 1-(3-methylidenecyclopentyl)ethanone (CID 556899) is 1-(3-methylidenecyclopentyl)ethanone.
What is the SMILES notation for 1-(3-methylidenecyclopentyl)ethanone?
The canonical SMILES for 1-(3-methylidenecyclopentyl)ethanone is C=C1CCC(C(C)=O)C1.
What is the InChIKey of 1-(3-methylidenecyclopentyl)ethanone?
The InChIKey is UUQXRVGRNSSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-4-8(5-6)7(2)9/h8H,1,3-5H2,2H3.
What are the key properties of 1-(3-methylidenecyclopentyl)ethanone?
1-(3-methylidenecyclopentyl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenecyclopentyl)ethanone is sourced from PubChem (CID 556899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).