hex-5-enylidenecyclopropane

C9H14 — CID 22637337

IUPAChex-5-enylidenecyclopropane
SMILESC=CCCCC=C1CC1
InChIInChI=1S/C9H14/c1-2-3-4-5-6-9-7-8-9/h2,6H,1,3-5,7-8H2
InChIKeyOJNRDJKISHCTMM-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds4

About hex-5-enylidenecyclopropane

hex-5-enylidenecyclopropane (PubChem CID 22637337) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is hex-5-enylidenecyclopropane.

Molecular Properties

Compound Namehex-5-enylidenecyclopropane
PubChem CID22637337
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Namehex-5-enylidenecyclopropane
SMILESC=CCCCC=C1CC1
InChIInChI=1S/C9H14/c1-2-3-4-5-6-9-7-8-9/h2,6H,1,3-5,7-8H2
InChIKeyOJNRDJKISHCTMM-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze hex-5-enylidenecyclopropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hex-5-enylidenecyclopropane?
The IUPAC name of hex-5-enylidenecyclopropane (CID 22637337) is hex-5-enylidenecyclopropane.
What is the SMILES notation for hex-5-enylidenecyclopropane?
The canonical SMILES for hex-5-enylidenecyclopropane is C=CCCCC=C1CC1.
What is the InChIKey of hex-5-enylidenecyclopropane?
The InChIKey is OJNRDJKISHCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-3-4-5-6-9-7-8-9/h2,6H,1,3-5,7-8H2.
What are the key properties of hex-5-enylidenecyclopropane?
hex-5-enylidenecyclopropane has a molecular weight of 122.21 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enylidenecyclopropane is sourced from PubChem (CID 22637337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).