2-(4-cyclopropylbut-2-enyl)oxirane

C9H14O — CID 86607686

IUPAC2-(4-cyclopropylbut-2-enyl)oxirane
SMILESC(=CCC1CO1)CC1CC1
InChIInChI=1S/C9H14O/c1(3-8-5-6-8)2-4-9-7-10-9/h1-2,8-9H,3-7H2
InChIKeyNDDNPSWZJZCURW-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-cyclopropylbut-2-enyl)oxirane

2-(4-cyclopropylbut-2-enyl)oxirane (PubChem CID 86607686) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(4-cyclopropylbut-2-enyl)oxirane.

Molecular Properties

Compound Name2-(4-cyclopropylbut-2-enyl)oxirane
PubChem CID86607686
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(4-cyclopropylbut-2-enyl)oxirane
SMILESC(=CCC1CO1)CC1CC1
InChIInChI=1S/C9H14O/c1(3-8-5-6-8)2-4-9-7-10-9/h1-2,8-9H,3-7H2
InChIKeyNDDNPSWZJZCURW-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(4-cyclopropylbut-2-enyl)oxirane 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 2-(4-cyclopropylbut-2-enyl)oxirane?
The IUPAC name of 2-(4-cyclopropylbut-2-enyl)oxirane (CID 86607686) is 2-(4-cyclopropylbut-2-enyl)oxirane.
What is the SMILES notation for 2-(4-cyclopropylbut-2-enyl)oxirane?
The canonical SMILES for 2-(4-cyclopropylbut-2-enyl)oxirane is C(=CCC1CO1)CC1CC1.
What is the InChIKey of 2-(4-cyclopropylbut-2-enyl)oxirane?
The InChIKey is NDDNPSWZJZCURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1(3-8-5-6-8)2-4-9-7-10-9/h1-2,8-9H,3-7H2.
What are the key properties of 2-(4-cyclopropylbut-2-enyl)oxirane?
2-(4-cyclopropylbut-2-enyl)oxirane has a molecular weight of 138.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylbut-2-enyl)oxirane is sourced from PubChem (CID 86607686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).