2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one

C10H14O2 — CID 14427967

IUPAC2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one
SMILESC=CC(C)C1=C(OC)CCC1=O
InChIInChI=1S/C10H14O2/c1-4-7(2)10-8(11)5-6-9(10)12-3/h4,7H,1,5-6H2,2-3H3
InChIKeyAUTGDYDTCXGELA-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds3

About 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one

2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one (PubChem CID 14427967) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one
PubChem CID14427967
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one
SMILESC=CC(C)C1=C(OC)CCC1=O
InChIInChI=1S/C10H14O2/c1-4-7(2)10-8(11)5-6-9(10)12-3/h4,7H,1,5-6H2,2-3H3
InChIKeyAUTGDYDTCXGELA-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
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-Butyl-3-methoxy-2-cyclopenten-1-one
CID 574327
(5R)-3-methoxy-5-propylcyclopent-2-en-1-one
CID 135080642
6,7-dihydro-4H-cyclopenta[b]pyran-5-one
CID 11629615
3-Methoxy-5-methyl-2-propan-2-ylcyclopent-2-en-1-one
CID 164675992
3-Methoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 11263600
3-Methoxy-2-(2-methylprop-2-enyl)cyclopent-2-en-1-one
CID 14399520
5,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 23572853
2-Cyclopropyl-3-methoxycyclopent-2-en-1-one
CID 67166597
3-Methoxy-4-(2-methylprop-1-enyl)-2-prop-2-enylcyclopent-2-en-1-one
CID 70016434
3-Methoxy-2-propan-2-ylcyclopent-2-en-1-one
CID 130026885
2,7-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
CID 141043289
Cyclohex-3-en-1-yl-(2-methoxy-5-methylidenecyclopenten-1-yl)methanone
CID 141881785

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one?
The IUPAC name of 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one (CID 14427967) is 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one?
The canonical SMILES for 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one is C=CC(C)C1=C(OC)CCC1=O.
What is the InChIKey of 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one?
The InChIKey is AUTGDYDTCXGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-7(2)10-8(11)5-6-9(10)12-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one?
2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yl-3-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 14427967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).