1-cyclohex-3-en-1-ylbut-3-en-2-one

C10H14O — CID 130029424

IUPAC1-cyclohex-3-en-1-ylbut-3-en-2-one
SMILESC=CC(=O)CC1CC=CCC1
InChIInChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2
InChIKeyCXDPFDRYWZCDKB-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds3

About 1-cyclohex-3-en-1-ylbut-3-en-2-one

1-cyclohex-3-en-1-ylbut-3-en-2-one (PubChem CID 130029424) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-ylbut-3-en-2-one.

Molecular Properties

Compound Name1-cyclohex-3-en-1-ylbut-3-en-2-one
PubChem CID130029424
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-cyclohex-3-en-1-ylbut-3-en-2-one
SMILESC=CC(=O)CC1CC=CCC1
InChIInChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2
InChIKeyCXDPFDRYWZCDKB-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-ylbut-3-en-2-one?
The IUPAC name of 1-cyclohex-3-en-1-ylbut-3-en-2-one (CID 130029424) is 1-cyclohex-3-en-1-ylbut-3-en-2-one.
What is the SMILES notation for 1-cyclohex-3-en-1-ylbut-3-en-2-one?
The canonical SMILES for 1-cyclohex-3-en-1-ylbut-3-en-2-one is C=CC(=O)CC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-ylbut-3-en-2-one?
The InChIKey is CXDPFDRYWZCDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-10(11)8-9-6-4-3-5-7-9/h2-4,9H,1,5-8H2.
What are the key properties of 1-cyclohex-3-en-1-ylbut-3-en-2-one?
1-cyclohex-3-en-1-ylbut-3-en-2-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-ylbut-3-en-2-one is sourced from PubChem (CID 130029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).