(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol

C7H10N2O — CID 22891977

IUPAC(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol
SMILESCn1cnc(/C=C/CO)c1
InChIInChI=1S/C7H10N2O/c1-9-5-7(8-6-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3/b3-2+
InChIKeyIUWXKMYPHORLMO-NSCUHMNNSA-N
MW138.17 g/mol
LogP0.43
Rot. Bonds2

About (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol

(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol (PubChem CID 22891977) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol
PubChem CID22891977
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol
SMILESCn1cnc(/C=C/CO)c1
InChIInChI=1S/C7H10N2O/c1-9-5-7(8-6-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3/b3-2+
InChIKeyIUWXKMYPHORLMO-NSCUHMNNSA-N
XLogP0.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol (CID 22891977) is (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol is Cn1cnc(/C=C/CO)c1.
What is the InChIKey of (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol?
The InChIKey is IUWXKMYPHORLMO-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-5-7(8-6-9)3-2-4-10/h2-3,5-6,10H,4H2,1H3/b3-2+.
What are the key properties of (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol?
(E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylimidazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 22891977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).