3-(cyclopenten-1-yl)but-3-en-2-one

C9H12O — CID 130028502

IUPAC3-(cyclopenten-1-yl)but-3-en-2-one
SMILESC=C(C(C)=O)C1=CCCC1
InChIInChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h5H,1,3-4,6H2,2H3
InChIKeyYFOQANMPQACTDJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.24
Rot. Bonds2

About 3-(cyclopenten-1-yl)but-3-en-2-one

3-(cyclopenten-1-yl)but-3-en-2-one (PubChem CID 130028502) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)but-3-en-2-one.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)but-3-en-2-one
PubChem CID130028502
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-(cyclopenten-1-yl)but-3-en-2-one
SMILESC=C(C(C)=O)C1=CCCC1
InChIInChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h5H,1,3-4,6H2,2H3
InChIKeyYFOQANMPQACTDJ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopenten-1-yl)prop-2-enoic acid
CID 15807267
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
S-phenyl 2-(cyclopenten-1-yl)prop-2-enethioate
CID 10513660
2-(cyclohexen-1-yl)-N-propan-2-ylprop-2-enamide
CID 102343479
1-(cyclopenten-1-yl)ethanone;3-[(dimethylamino)methyl]but-3-en-2-one;ethane
CID 177013012
ethoxymethyl 2-(cyclopenten-1-yl)prop-2-enoate
CID 174744606
3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
CID 141406467
[(1E)-3-(cyclohexen-1-yl)-1-iodobuta-1,3-dien-2-yl]-trimethylsilane
CID 135038847
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
2-(cyclohexen-1-yl)-N-[3-[2-(cyclohexen-1-yl)prop-2-enoylamino]propyl]prop-2-enamide
CID 102343482
cyclopenten-1-yl-(2-methylcyclopropyl)methanone
CID 62080123

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)but-3-en-2-one?
The IUPAC name of 3-(cyclopenten-1-yl)but-3-en-2-one (CID 130028502) is 3-(cyclopenten-1-yl)but-3-en-2-one.
What is the SMILES notation for 3-(cyclopenten-1-yl)but-3-en-2-one?
The canonical SMILES for 3-(cyclopenten-1-yl)but-3-en-2-one is C=C(C(C)=O)C1=CCCC1.
What is the InChIKey of 3-(cyclopenten-1-yl)but-3-en-2-one?
The InChIKey is YFOQANMPQACTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h5H,1,3-4,6H2,2H3.
What are the key properties of 3-(cyclopenten-1-yl)but-3-en-2-one?
3-(cyclopenten-1-yl)but-3-en-2-one has a molecular weight of 136.19 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)but-3-en-2-one is sourced from PubChem (CID 130028502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).