(3-prop-2-enylimidazol-4-yl)methanol

C7H10N2O — CID 22988645

IUPAC(3-prop-2-enylimidazol-4-yl)methanol
SMILESC=CCn1cncc1CO
InChIInChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h2,4,6,10H,1,3,5H2
InChIKeyANRJSDRHFNLDCW-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.56
Rot. Bonds3

About (3-prop-2-enylimidazol-4-yl)methanol

(3-prop-2-enylimidazol-4-yl)methanol (PubChem CID 22988645) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3-prop-2-enylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-prop-2-enylimidazol-4-yl)methanol
PubChem CID22988645
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3-prop-2-enylimidazol-4-yl)methanol
SMILESC=CCn1cncc1CO
InChIInChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h2,4,6,10H,1,3,5H2
InChIKeyANRJSDRHFNLDCW-UHFFFAOYSA-N
XLogP0.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.56
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 (3-prop-2-enylimidazol-4-yl)methanol?
The IUPAC name of (3-prop-2-enylimidazol-4-yl)methanol (CID 22988645) is (3-prop-2-enylimidazol-4-yl)methanol.
What is the SMILES notation for (3-prop-2-enylimidazol-4-yl)methanol?
The canonical SMILES for (3-prop-2-enylimidazol-4-yl)methanol is C=CCn1cncc1CO.
What is the InChIKey of (3-prop-2-enylimidazol-4-yl)methanol?
The InChIKey is ANRJSDRHFNLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-9-6-8-4-7(9)5-10/h2,4,6,10H,1,3,5H2.
What are the key properties of (3-prop-2-enylimidazol-4-yl)methanol?
(3-prop-2-enylimidazol-4-yl)methanol has a molecular weight of 138.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enylimidazol-4-yl)methanol is sourced from PubChem (CID 22988645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).