1-cyclopropylprop-2-en-1-ol

C6H10O — CID 12774540

IUPAC1-cyclopropylprop-2-en-1-ol
SMILESC=CC(O)C1CC1
InChIInChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h2,5-7H,1,3-4H2
InChIKeyVPBHQZFFRSKYPB-UHFFFAOYSA-N
MW98.14 g/mol
LogP0.94
Rot. Bonds2

About 1-cyclopropylprop-2-en-1-ol

1-cyclopropylprop-2-en-1-ol (PubChem CID 12774540) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-cyclopropylprop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclopropylprop-2-en-1-ol
PubChem CID12774540
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-cyclopropylprop-2-en-1-ol
SMILESC=CC(O)C1CC1
InChIInChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h2,5-7H,1,3-4H2
InChIKeyVPBHQZFFRSKYPB-UHFFFAOYSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 50.94
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 1-cyclopropylprop-2-en-1-ol?
The IUPAC name of 1-cyclopropylprop-2-en-1-ol (CID 12774540) is 1-cyclopropylprop-2-en-1-ol.
What is the SMILES notation for 1-cyclopropylprop-2-en-1-ol?
The canonical SMILES for 1-cyclopropylprop-2-en-1-ol is C=CC(O)C1CC1.
What is the InChIKey of 1-cyclopropylprop-2-en-1-ol?
The InChIKey is VPBHQZFFRSKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h2,5-7H,1,3-4H2.
What are the key properties of 1-cyclopropylprop-2-en-1-ol?
1-cyclopropylprop-2-en-1-ol has a molecular weight of 98.14 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylprop-2-en-1-ol is sourced from PubChem (CID 12774540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).