2-ethenylcyclopropan-1-ol

C5H8O — CID 54500145

IUPAC2-ethenylcyclopropan-1-ol
SMILESC=CC1CC1O
InChIInChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2
InChIKeyCZVVRZRQISXRAB-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.55
Rot. Bonds1

About 2-ethenylcyclopropan-1-ol

2-ethenylcyclopropan-1-ol (PubChem CID 54500145) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 2-ethenylcyclopropan-1-ol.

Molecular Properties

Compound Name2-ethenylcyclopropan-1-ol
PubChem CID54500145
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name2-ethenylcyclopropan-1-ol
SMILESC=CC1CC1O
InChIInChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2
InChIKeyCZVVRZRQISXRAB-UHFFFAOYSA-N
XLogP0.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylcyclopropan-1-ol?
The IUPAC name of 2-ethenylcyclopropan-1-ol (CID 54500145) is 2-ethenylcyclopropan-1-ol.
What is the SMILES notation for 2-ethenylcyclopropan-1-ol?
The canonical SMILES for 2-ethenylcyclopropan-1-ol is C=CC1CC1O.
What is the InChIKey of 2-ethenylcyclopropan-1-ol?
The InChIKey is CZVVRZRQISXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-2-4-3-5(4)6/h2,4-6H,1,3H2.
What are the key properties of 2-ethenylcyclopropan-1-ol?
2-ethenylcyclopropan-1-ol has a molecular weight of 84.12 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylcyclopropan-1-ol is sourced from PubChem (CID 54500145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).