cyclopent-3-ene-1-carbaldehyde

C6H8O — CID 5314123

IUPACcyclopent-3-ene-1-carbaldehyde
SMILESO=CC1CC=CC1
InChIInChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyRMCWOSMNBMMDPL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.15
Rot. Bonds1

About cyclopent-3-ene-1-carbaldehyde

cyclopent-3-ene-1-carbaldehyde (PubChem CID 5314123) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is cyclopent-3-ene-1-carbaldehyde.

Molecular Properties

Compound Namecyclopent-3-ene-1-carbaldehyde
PubChem CID5314123
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namecyclopent-3-ene-1-carbaldehyde
SMILESO=CC1CC=CC1
InChIInChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKeyRMCWOSMNBMMDPL-UHFFFAOYSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-carboxaldehyde
CID 7508
4-Pentenal, 2-ethyl-
CID 21264
Cyclopent-2-en-1-ylacetaldehyde
CID 274427
Npc106106
CID 110898
1-Methylcyclopent-3-ene-1-carbaldehyde
CID 87664346
3-Formylcyclobutene
CID 13815417
2-Prop-2-enylpent-4-enal
CID 11378487
(E)-3-methylnon-4-enal
CID 12163168
3-Cyclopentene-1-acetaldehyde
CID 11804701
4-Hexenal, 5-methyl-2-(1-methylethenyl)-, (2R)-
CID 21118712
(1S)-cyclohex-3-ene-1-carbaldehyde
CID 5325868
(1R)-cyclohex-3-ene-1-carbaldehyde
CID 7059655

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-ene-1-carbaldehyde?
The IUPAC name of cyclopent-3-ene-1-carbaldehyde (CID 5314123) is cyclopent-3-ene-1-carbaldehyde.
What is the SMILES notation for cyclopent-3-ene-1-carbaldehyde?
The canonical SMILES for cyclopent-3-ene-1-carbaldehyde is O=CC1CC=CC1.
What is the InChIKey of cyclopent-3-ene-1-carbaldehyde?
The InChIKey is RMCWOSMNBMMDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h1-2,5-6H,3-4H2.
What are the key properties of cyclopent-3-ene-1-carbaldehyde?
cyclopent-3-ene-1-carbaldehyde has a molecular weight of 96.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-ene-1-carbaldehyde is sourced from PubChem (CID 5314123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).