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

C6H8N2O — CID 10909565

IUPAC(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
SMILESOC/C=C\c1ncc[nH]1
InChIInChI=1S/C6H8N2O/c9-5-1-2-6-7-3-4-8-6/h1-4,9H,5H2,(H,7,8)/b2-1-
InChIKeyADXJPWRKYWXHFS-UPHRSURJSA-N
MW124.14 g/mol
LogP0.42
Rot. Bonds2

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

(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol (PubChem CID 10909565) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
PubChem CID10909565
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
SMILESOC/C=C\c1ncc[nH]1
InChIInChI=1S/C6H8N2O/c9-5-1-2-6-7-3-4-8-6/h1-4,9H,5H2,(H,7,8)/b2-1-
InChIKeyADXJPWRKYWXHFS-UPHRSURJSA-N
XLogP0.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol?
The IUPAC name of (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol (CID 10909565) is (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol is OC/C=C\c1ncc[nH]1.
What is the InChIKey of (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol?
The InChIKey is ADXJPWRKYWXHFS-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8N2O/c9-5-1-2-6-7-3-4-8-6/h1-4,9H,5H2,(H,7,8)/b2-1-.
What are the key properties of (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol?
(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol has a molecular weight of 124.14 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 10909565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).