cyclohex-2-en-1-one

C6H8O — CID 13594

IUPACcyclohex-2-en-1-one
SMILESO=C1C=CCCC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyFWFSEYBSWVRWGL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.30
Rot. Bonds

About cyclohex-2-en-1-one

cyclohex-2-en-1-one (PubChem CID 13594) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is cyclohex-2-en-1-one.

Molecular Properties

Compound Namecyclohex-2-en-1-one
PubChem CID13594
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namecyclohex-2-en-1-one
SMILESO=C1C=CCCC1
InChIInChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKeyFWFSEYBSWVRWGL-UHFFFAOYSA-N
XLogP1.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Octen-4-one
CID 5365891
2-Nonen-4-one, (2E)-
CID 448996
2-Cyclopenten-1-one
CID 13588
2-Hepten-4-one
CID 5463238
(2E)-oct-2-en-4-one
CID 521196
2-Cyclohepten-1-one
CID 70723
2-Cyclohexen-1-one, 2-methyl-
CID 136887
1,4-Cyclohex-2-enedione
CID 138275
3-Nonen-5-one
CID 5367759
2-Cyclohexen-1-one, 5-methyl-
CID 522446
6-Methylcyclohex-2-en-1-one
CID 11062335
Propenyl propyl ketone
CID 20756

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-one?
The IUPAC name of cyclohex-2-en-1-one (CID 13594) is cyclohex-2-en-1-one.
What is the SMILES notation for cyclohex-2-en-1-one?
The canonical SMILES for cyclohex-2-en-1-one is O=C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-one?
The InChIKey is FWFSEYBSWVRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2.
What are the key properties of cyclohex-2-en-1-one?
cyclohex-2-en-1-one has a molecular weight of 96.13 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-one is sourced from PubChem (CID 13594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).