2-[(E)-4-cyclopropylbut-2-enyl]oxirane

C9H14O — CID 87677805

IUPAC2-[(E)-4-cyclopropylbut-2-enyl]oxirane
SMILESC(=C/CC1CO1)\CC1CC1
InChIInChI=1S/C9H14O/c1(3-8-5-6-8)2-4-9-7-10-9/h1-2,8-9H,3-7H2/b2-1+
InChIKeyNDDNPSWZJZCURW-OWOJBTEDSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds4

About 2-[(E)-4-cyclopropylbut-2-enyl]oxirane

2-[(E)-4-cyclopropylbut-2-enyl]oxirane (PubChem CID 87677805) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(E)-4-cyclopropylbut-2-enyl]oxirane.

Molecular Properties

Compound Name2-[(E)-4-cyclopropylbut-2-enyl]oxirane
PubChem CID87677805
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-[(E)-4-cyclopropylbut-2-enyl]oxirane
SMILESC(=C/CC1CO1)\CC1CC1
InChIInChI=1S/C9H14O/c1(3-8-5-6-8)2-4-9-7-10-9/h1-2,8-9H,3-7H2/b2-1+
InChIKeyNDDNPSWZJZCURW-OWOJBTEDSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-cyclopropylbut-2-enyl]oxirane?
The IUPAC name of 2-[(E)-4-cyclopropylbut-2-enyl]oxirane (CID 87677805) is 2-[(E)-4-cyclopropylbut-2-enyl]oxirane.
What is the SMILES notation for 2-[(E)-4-cyclopropylbut-2-enyl]oxirane?
The canonical SMILES for 2-[(E)-4-cyclopropylbut-2-enyl]oxirane is C(=C/CC1CO1)\CC1CC1.
What is the InChIKey of 2-[(E)-4-cyclopropylbut-2-enyl]oxirane?
The InChIKey is NDDNPSWZJZCURW-OWOJBTEDSA-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/b2-1+.
What are the key properties of 2-[(E)-4-cyclopropylbut-2-enyl]oxirane?
2-[(E)-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-[(E)-4-cyclopropylbut-2-enyl]oxirane is sourced from PubChem (CID 87677805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).