1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one

C14H20O2 — CID 138974955

IUPAC1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
SMILESC=CC(C)C(=O)C1=C(C(=C)COC)CCC1
InChIInChI=1S/C14H20O2/c1-5-10(2)14(15)13-8-6-7-12(13)11(3)9-16-4/h5,10H,1,3,6-9H2,2,4H3
InChIKeyNPKZRPUUFUFUEC-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.06
Rot. Bonds6

About 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one

1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one (PubChem CID 138974955) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one.

Molecular Properties

Compound Name1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
PubChem CID138974955
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
SMILESC=CC(C)C(=O)C1=C(C(=C)COC)CCC1
InChIInChI=1S/C14H20O2/c1-5-10(2)14(15)13-8-6-7-12(13)11(3)9-16-4/h5,10H,1,3,6-9H2,2,4H3
InChIKeyNPKZRPUUFUFUEC-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.06
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

(9S)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 101324804
(9R)-9-methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007671
3-But-3-enyl-4-prop-1-en-2-yl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135023427
(3R,6aR)-3-but-3-enyl-4-prop-1-en-2-yl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 135042519
1-[(1E)-2-(3-methoxyprop-1-en-2-yl)cycloocten-1-yl]-2-methylbut-3-en-1-one
CID 138975452
2-(Cyclohexen-1-yl)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 139248711
9-Methyl-2-methylidene-3-prop-1-en-2-yl-6,7,8,9-tetrahydro-1-benzoxepin-5-one
CID 163007670
3-(5-Methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
CID 21399127
3-[(3E,5E,7E,9E,11Z)-2-methoxy-3,7-dimethyltrideca-3,5,7,9,11-pentaenyl]-2,4,4,6-tetramethylcyclohex-2-en-1-one
CID 59946434
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368362
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368883
1-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one?
The IUPAC name of 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one (CID 138974955) is 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one.
What is the SMILES notation for 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one?
The canonical SMILES for 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one is C=CC(C)C(=O)C1=C(C(=C)COC)CCC1.
What is the InChIKey of 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one?
The InChIKey is NPKZRPUUFUFUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-10(2)14(15)13-8-6-7-12(13)11(3)9-16-4/h5,10H,1,3,6-9H2,2,4H3.
What are the key properties of 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one?
1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one has a molecular weight of 220.31 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one is sourced from PubChem (CID 138974955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).