3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one

C10H14O2 — CID 14399520

IUPAC3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
SMILESC=C(C)CC1=C(OC)CCC1=O
InChIInChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-5-10(8)12-3/h1,4-6H2,2-3H3
InChIKeyLVXANUCBWZMEEP-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds3

About 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one

3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one (PubChem CID 14399520) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
PubChem CID14399520
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
SMILESC=C(C)CC1=C(OC)CCC1=O
InChIInChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-5-10(8)12-3/h1,4-6H2,2-3H3
InChIKeyLVXANUCBWZMEEP-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-2-methyl-2-cyclohexen-1-one
CID 587655
3-Methoxy-2-methyl-2-cyclopentenone
CID 11018872
2-Ethyl-3-methoxy-2-cyclopentenone
CID 580719
2-Cyclohexen-1-one, 3-methoxy-2-(2-propenyl)-
CID 10986611
2-Butyl-3-propan-2-yloxycyclopent-2-en-1-one
CID 11241022
6,7-dihydro-4H-cyclopenta[b]pyran-5-one
CID 11629615
3-Methoxy-2-(3-methylbut-2-enyl)cyclohex-2-en-1-one
CID 12003839
3-Methoxy-2-acetyl-2-cyclopenten-1-one
CID 129878541
1-(2-Methoxycyclohexen-1-yl)ethanone
CID 130032037
3-(2-Ethoxyprop-2-enyl)-4-methylcyclobut-3-ene-1,2-dione
CID 134977024
2-Cyclopenten-1-one, 2-butyl-3-methoxy-
CID 581040
Ndcvazwadyvsgz-uhfffaoysa-
CID 10796915

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one?
The IUPAC name of 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one (CID 14399520) is 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one is C=C(C)CC1=C(OC)CCC1=O.
What is the InChIKey of 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one?
The InChIKey is LVXANUCBWZMEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)6-8-9(11)4-5-10(8)12-3/h1,4-6H2,2-3H3.
What are the key properties of 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one?
3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one is sourced from PubChem (CID 14399520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).