(4-prop-2-enyl-1H-imidazol-5-yl)methanol

C7H10N2O — CID 70540099

IUPAC(4-prop-2-enyl-1H-imidazol-5-yl)methanol
SMILESC=CCc1nc[nH]c1CO
InChIInChI=1S/C7H10N2O/c1-2-3-6-7(4-10)9-5-8-6/h2,5,10H,1,3-4H2,(H,8,9)
InChIKeyCROYZFKGJQFHPS-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.63
Rot. Bonds3

About (4-prop-2-enyl-1H-imidazol-5-yl)methanol

(4-prop-2-enyl-1H-imidazol-5-yl)methanol (PubChem CID 70540099) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (4-prop-2-enyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-prop-2-enyl-1H-imidazol-5-yl)methanol
PubChem CID70540099
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(4-prop-2-enyl-1H-imidazol-5-yl)methanol
SMILESC=CCc1nc[nH]c1CO
InChIInChI=1S/C7H10N2O/c1-2-3-6-7(4-10)9-5-8-6/h2,5,10H,1,3-4H2,(H,8,9)
InChIKeyCROYZFKGJQFHPS-UHFFFAOYSA-N
XLogP0.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-prop-2-enyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-prop-2-enyl-1H-imidazol-5-yl)methanol (CID 70540099) is (4-prop-2-enyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-prop-2-enyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-prop-2-enyl-1H-imidazol-5-yl)methanol is C=CCc1nc[nH]c1CO.
What is the InChIKey of (4-prop-2-enyl-1H-imidazol-5-yl)methanol?
The InChIKey is CROYZFKGJQFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-7(4-10)9-5-8-6/h2,5,10H,1,3-4H2,(H,8,9).
What are the key properties of (4-prop-2-enyl-1H-imidazol-5-yl)methanol?
(4-prop-2-enyl-1H-imidazol-5-yl)methanol has a molecular weight of 138.17 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 70540099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).