2-ethenylcyclopropane-1-carbaldehyde

C6H8O — CID 13248127

IUPAC2-ethenylcyclopropane-1-carbaldehyde
SMILESC=CC1CC1C=O
InChIInChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,4-6H,1,3H2
InChIKeyVVRVSKFQOPUGNO-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.01
Rot. Bonds2

About 2-ethenylcyclopropane-1-carbaldehyde

2-ethenylcyclopropane-1-carbaldehyde (PubChem CID 13248127) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-ethenylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-ethenylcyclopropane-1-carbaldehyde
PubChem CID13248127
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name2-ethenylcyclopropane-1-carbaldehyde
SMILESC=CC1CC1C=O
InChIInChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,4-6H,1,3H2
InChIKeyVVRVSKFQOPUGNO-UHFFFAOYSA-N
XLogP1.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.01
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'}

Analyze 2-ethenylcyclopropane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methylpent-4-enal
CID 521355
4-Pentenal, 2-ethyl-
CID 21264
5-Hexenal
CID 69817
3-Methyl-4-pentenal
CID 15683
(3S)-3-methylpent-4-enal
CID 59787455
(S)-4-Methylhex-5-enal
CID 11029793
(R)-4-Methylhex-5-enal
CID 13755667
(2S)-2-methyl-4-pentenal
CID 10176097
4-Methylhex-5-enal
CID 3017390
(2R)-2-methylpent-4-enal
CID 11018811
2-Prop-2-enylpent-4-enal
CID 11378487
2-Methylhex-5-enal
CID 13791911

Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-ethenylcyclopropane-1-carbaldehyde (CID 13248127) is 2-ethenylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-ethenylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-ethenylcyclopropane-1-carbaldehyde is C=CC1CC1C=O.
What is the InChIKey of 2-ethenylcyclopropane-1-carbaldehyde?
The InChIKey is VVRVSKFQOPUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-5-3-6(5)4-7/h2,4-6H,1,3H2.
What are the key properties of 2-ethenylcyclopropane-1-carbaldehyde?
2-ethenylcyclopropane-1-carbaldehyde has a molecular weight of 96.13 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 13248127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).