(3-cyclopropylimidazol-4-yl)methanol

C7H10N2O — CID 51072268

IUPAC(3-cyclopropylimidazol-4-yl)methanol
SMILESOCc1cncn1C1CC1
InChIInChI=1S/C7H10N2O/c10-4-7-3-8-5-9(7)6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKeyACXJTLNSCOMIMP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.71
Rot. Bonds2

About (3-cyclopropylimidazol-4-yl)methanol

(3-cyclopropylimidazol-4-yl)methanol (PubChem CID 51072268) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)methanol
PubChem CID51072268
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(3-cyclopropylimidazol-4-yl)methanol
SMILESOCc1cncn1C1CC1
InChIInChI=1S/C7H10N2O/c10-4-7-3-8-5-9(7)6-1-2-6/h3,5-6,10H,1-2,4H2
InChIKeyACXJTLNSCOMIMP-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)methanol (CID 51072268) is (3-cyclopropylimidazol-4-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)methanol is OCc1cncn1C1CC1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)methanol?
The InChIKey is ACXJTLNSCOMIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-4-7-3-8-5-9(7)6-1-2-6/h3,5-6,10H,1-2,4H2.
What are the key properties of (3-cyclopropylimidazol-4-yl)methanol?
(3-cyclopropylimidazol-4-yl)methanol has a molecular weight of 138.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)methanol is sourced from PubChem (CID 51072268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).