1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol

C9H14N2O — CID 69053789

IUPAC1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol
SMILESC=CCN1C=CN(C(O)C=C)C1
InChIInChI=1S/C9H14N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,6-7,9,12H,1-2,5,8H2
InChIKeyCKFJRXYMJIOTGU-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.72
Rot. Bonds4

About 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol

1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol (PubChem CID 69053789) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol
PubChem CID69053789
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol
SMILESC=CCN1C=CN(C(O)C=C)C1
InChIInChI=1S/C9H14N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,6-7,9,12H,1-2,5,8H2
InChIKeyCKFJRXYMJIOTGU-UHFFFAOYSA-N
XLogP0.72
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol?
The IUPAC name of 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol (CID 69053789) is 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol is C=CCN1C=CN(C(O)C=C)C1.
What is the InChIKey of 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol?
The InChIKey is CKFJRXYMJIOTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-10-6-7-11(8-10)9(12)4-2/h3-4,6-7,9,12H,1-2,5,8H2.
What are the key properties of 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol?
1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-2-enyl-2H-imidazol-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 69053789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).