3-(1-methoxyethenyl)cyclopentan-1-one

C8H12O2 — CID 90982761

IUPAC3-(1-methoxyethenyl)cyclopentan-1-one
SMILESC=C(OC)C1CCC(=O)C1
InChIInChI=1S/C8H12O2/c1-6(10-2)7-3-4-8(9)5-7/h7H,1,3-5H2,2H3
InChIKeyATOFAPOMMCSVOF-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds2

About 3-(1-methoxyethenyl)cyclopentan-1-one

3-(1-methoxyethenyl)cyclopentan-1-one (PubChem CID 90982761) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1-methoxyethenyl)cyclopentan-1-one
PubChem CID90982761
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-(1-methoxyethenyl)cyclopentan-1-one
SMILESC=C(OC)C1CCC(=O)C1
InChIInChI=1S/C8H12O2/c1-6(10-2)7-3-4-8(9)5-7/h7H,1,3-5H2,2H3
InChIKeyATOFAPOMMCSVOF-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-Methoxy-4-methylhept-6-en-2-one
CID 20769127
6-Ethoxy-4-methylhept-6-en-2-one
CID 58379225
(4R)-6-methoxy-4-methylhept-6-en-2-one
CID 59991058
2-(1-Methoxyethenyl)cyclopentan-1-one
CID 143441058
1-(2,6-Dimethylideneoxan-4-yl)propan-2-one
CID 163611773
2-(2-Methoxyprop-2-enyl)cyclopentan-1-one
CID 11084087
1-[(3R,4R)-4-methyl-5-methylideneoxolan-3-yl]propan-2-one
CID 101859656

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)cyclopentan-1-one?
The IUPAC name of 3-(1-methoxyethenyl)cyclopentan-1-one (CID 90982761) is 3-(1-methoxyethenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(1-methoxyethenyl)cyclopentan-1-one?
The canonical SMILES for 3-(1-methoxyethenyl)cyclopentan-1-one is C=C(OC)C1CCC(=O)C1.
What is the InChIKey of 3-(1-methoxyethenyl)cyclopentan-1-one?
The InChIKey is ATOFAPOMMCSVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(10-2)7-3-4-8(9)5-7/h7H,1,3-5H2,2H3.
What are the key properties of 3-(1-methoxyethenyl)cyclopentan-1-one?
3-(1-methoxyethenyl)cyclopentan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethenyl)cyclopentan-1-one is sourced from PubChem (CID 90982761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).