cyclopent-2-en-1-one

C5H6O — CID 13588

IUPACcyclopent-2-en-1-one
SMILESO=C1C=CCC1
InChIInChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKeyBZKFMUIJRXWWQK-UHFFFAOYSA-N
MW82.10 g/mol
LogP0.91
Rot. Bonds

About cyclopent-2-en-1-one

cyclopent-2-en-1-one (PubChem CID 13588) has the molecular formula C5H6O and a molecular weight of 82.10 g/mol. Its IUPAC name is cyclopent-2-en-1-one.

Molecular Properties

Compound Namecyclopent-2-en-1-one
PubChem CID13588
Molecular FormulaC5H6O
Molecular Weight82.10 g/mol
Exact Mass82.04
IUPAC Namecyclopent-2-en-1-one
SMILESO=C1C=CCC1
InChIInChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKeyBZKFMUIJRXWWQK-UHFFFAOYSA-N
XLogP0.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.10
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Hexen-3-one
CID 5365811
2-Cyclohexen-1-one
CID 13594
2-Hepten-4-one
CID 5463238
2-Cyclopentene-1,4-dione
CID 70258
Hex-4-en-3-one
CID 17244
Cyclopentenedione
CID 185654
Cyclopent-3-en-1-one
CID 84351
2-Iodo-cyclopent-2-enone
CID 10867499
Propenyl propyl ketone
CID 20756
4-Hexen-3-one, (4Z)-
CID 5358374
(E)-non-5-en-4-one
CID 5287534
Cyclopent-4-ene-1,2,3-trione
CID 139948

Frequently Asked Questions

What is the IUPAC name of cyclopent-2-en-1-one?
The IUPAC name of cyclopent-2-en-1-one (CID 13588) is cyclopent-2-en-1-one.
What is the SMILES notation for cyclopent-2-en-1-one?
The canonical SMILES for cyclopent-2-en-1-one is O=C1C=CCC1.
What is the InChIKey of cyclopent-2-en-1-one?
The InChIKey is BZKFMUIJRXWWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2.
What are the key properties of cyclopent-2-en-1-one?
cyclopent-2-en-1-one has a molecular weight of 82.10 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-2-en-1-one is sourced from PubChem (CID 13588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).