2-but-3-enyl-3-methylcyclopent-2-en-1-one

C10H14O — CID 13024689

IUPAC2-but-3-enyl-3-methylcyclopent-2-en-1-one
SMILESC=CCCC1=C(C)CCC1=O
InChIInChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3H,1,4-7H2,2H3
InChIKeyCAJNFFHUNWTNBE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.63
Rot. Bonds3

About 2-but-3-enyl-3-methylcyclopent-2-en-1-one

2-but-3-enyl-3-methylcyclopent-2-en-1-one (PubChem CID 13024689) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-but-3-enyl-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-but-3-enyl-3-methylcyclopent-2-en-1-one
PubChem CID13024689
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name2-but-3-enyl-3-methylcyclopent-2-en-1-one
SMILESC=CCCC1=C(C)CCC1=O
InChIInChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3H,1,4-7H2,2H3
InChIKeyCAJNFFHUNWTNBE-UHFFFAOYSA-N
XLogP2.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-3-enyl-2-methylcyclopent-2-en-1-one
CID 10261250
2-(4-chlorobutyl)-3-methylcyclopent-2-en-1-one
CID 102244365
3-methyl-2-[(E)-4-(2-methylprop-2-enoxy)but-3-enyl]cyclopent-2-en-1-one
CID 20609716
2-(3-hydroxypropyl)-3-methylcyclopent-2-en-1-one
CID 13027966
3-methyl-2-(4-methyl-3-oxopentyl)cyclopent-2-en-1-one
CID 11805603
3-hex-5-enyl-2-methylcyclopent-2-en-1-one
CID 71327503
5-but-3-enyl-8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione
CID 23462549
2-[(Z)-2,3-dideuteriopent-2-enyl]-3-methylcyclopent-2-en-1-one
CID 171391730
2-but-3-ynyl-3-methylcyclohex-2-en-1-one
CID 12853071
butane-1,4-diamine;3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
CID 67784181
(4aS)-1-but-3-enyl-4a-methyl-5-[(2-methylpropan-2-yl)oxy]-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 56613995
3-ethenyl-2-pentylcyclopent-2-en-1-one
CID 14411905

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-but-3-enyl-3-methylcyclopent-2-en-1-one (CID 13024689) is 2-but-3-enyl-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-but-3-enyl-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-but-3-enyl-3-methylcyclopent-2-en-1-one is C=CCCC1=C(C)CCC1=O.
What is the InChIKey of 2-but-3-enyl-3-methylcyclopent-2-en-1-one?
The InChIKey is CAJNFFHUNWTNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-5-9-8(2)6-7-10(9)11/h3H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-3-methylcyclopent-2-en-1-one?
2-but-3-enyl-3-methylcyclopent-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 13024689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).