5-but-3-enyl-3-methoxycyclopent-2-en-1-one

C10H14O2 — CID 25227873

IUPAC5-but-3-enyl-3-methoxycyclopent-2-en-1-one
SMILESC=CCCC1CC(OC)=CC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h3,7-8H,1,4-6H2,2H3
InChIKeySLAPTYNPABKWQK-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds4

About 5-but-3-enyl-3-methoxycyclopent-2-en-1-one

5-but-3-enyl-3-methoxycyclopent-2-en-1-one (PubChem CID 25227873) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-but-3-enyl-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-but-3-enyl-3-methoxycyclopent-2-en-1-one
PubChem CID25227873
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-but-3-enyl-3-methoxycyclopent-2-en-1-one
SMILESC=CCCC1CC(OC)=CC1=O
InChIInChI=1S/C10H14O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h3,7-8H,1,4-6H2,2H3
InChIKeySLAPTYNPABKWQK-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
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

5-but-3-enyl-3-methoxycyclohex-2-en-1-one
CID 12836528
3-methoxy-5-[(E)-2-methoxyethenyl]cyclopent-2-en-1-one
CID 14068214
6-but-3-enylcyclohex-2-en-1-one
CID 130026692
trans-(2S,5R)-2-but-3-enyl-5-methylcyclopentan-1-one
CID 86338735
tert-butyl (2S)-2-but-3-enyl-4-oxoazetidine-1-carboxylate
CID 95898037
4-but-3-enyl-3-methylcyclohexan-1-one
CID 12571440
5-prop-2-enyl-3-propylcyclopent-2-en-1-one
CID 10986593
methyl 4-but-3-enyl-3,3-dimethyl-6-oxocyclohexene-1-carboxylate
CID 102508650
(5S)-5-ethenyl-5-hydroxy-3-methoxycyclopent-2-en-1-one
CID 163188885
2-but-3-enyl-4-tert-butylcyclohexan-1-one
CID 13032700
(1R,6S,7R)-7-(2-hydroxyethyl)-3-methoxy-5-oxobicyclo[4.2.0]oct-3-ene-1-carbonitrile
CID 101119360
3-but-3-enylcyclopentan-1-one
CID 13045271

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 5-but-3-enyl-3-methoxycyclopent-2-en-1-one (CID 25227873) is 5-but-3-enyl-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 5-but-3-enyl-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 5-but-3-enyl-3-methoxycyclopent-2-en-1-one is C=CCCC1CC(OC)=CC1=O.
What is the InChIKey of 5-but-3-enyl-3-methoxycyclopent-2-en-1-one?
The InChIKey is SLAPTYNPABKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 5-but-3-enyl-3-methoxycyclopent-2-en-1-one?
5-but-3-enyl-3-methoxycyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 25227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).