2-[(1-prop-2-enylcyclopropyl)methyl]oxirane

C9H14O — CID 86072244

IUPAC2-[(1-prop-2-enylcyclopropyl)methyl]oxirane
SMILESC=CCC1(CC2CO2)CC1
InChIInChI=1S/C9H14O/c1-2-3-9(4-5-9)6-8-7-10-8/h2,8H,1,3-7H2
InChIKeyDPFGFGHKYBMSDG-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.13
Rot. Bonds4

About 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane

2-[(1-prop-2-enylcyclopropyl)methyl]oxirane (PubChem CID 86072244) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(1-prop-2-enylcyclopropyl)methyl]oxirane
PubChem CID86072244
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-[(1-prop-2-enylcyclopropyl)methyl]oxirane
SMILESC=CCC1(CC2CO2)CC1
InChIInChI=1S/C9H14O/c1-2-3-9(4-5-9)6-8-7-10-8/h2,8H,1,3-7H2
InChIKeyDPFGFGHKYBMSDG-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane?
The IUPAC name of 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane (CID 86072244) is 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane.
What is the SMILES notation for 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane?
The canonical SMILES for 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane is C=CCC1(CC2CO2)CC1.
What is the InChIKey of 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane?
The InChIKey is DPFGFGHKYBMSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-9(4-5-9)6-8-7-10-8/h2,8H,1,3-7H2.
What are the key properties of 2-[(1-prop-2-enylcyclopropyl)methyl]oxirane?
2-[(1-prop-2-enylcyclopropyl)methyl]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-[(1-prop-2-enylcyclopropyl)methyl]oxirane is sourced from PubChem (CID 86072244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).