(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid

C6H6N2O2 — CID 53230707

IUPAC(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1ncc[nH]1
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-
InChIKeyBLNMENZGNYPNEL-UPHRSURJSA-N
MW138.13 g/mol
LogP0.51
Rot. Bonds2

About (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid

(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid (PubChem CID 53230707) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid
PubChem CID53230707
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C\c1ncc[nH]1
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-
InChIKeyBLNMENZGNYPNEL-UPHRSURJSA-N
XLogP0.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 57095346
(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 18782918
(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
CID 10909565
(E)-3-(1H-imidazol-2-ylsulfanyl)prop-2-enoic acid
CID 18002510
2-pent-1-enyl-1H-imidazole
CID 57076372
(E)-1-(2-hydroxy-5-nitrophenyl)-3-(1H-imidazol-2-yl)prop-2-en-1-one
CID 18782955
2-ethenyl-1H-imidazole;phosphoric acid
CID 157353127
(1E,6E)-1-(3-hydroxy-4-methoxyphenyl)-7-(1H-imidazol-2-yl)hepta-1,6-diene-3,5-dione
CID 68551455
(E)-but-2-enedioic acid;1H-pyrazin-2-one
CID 68826274
ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
CID 143945095
2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole
CID 102056008
(E)-3-(5-pyridin-4-yl-1H-imidazol-2-yl)prop-2-enoic acid
CID 116881005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid (CID 53230707) is (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid is O=C(O)/C=C\c1ncc[nH]1.
What is the InChIKey of (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid?
The InChIKey is BLNMENZGNYPNEL-UPHRSURJSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-.
What are the key properties of (Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid?
(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid has a molecular weight of 138.13 g/mol, XLogP of 0.51, 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-enoic acid is sourced from PubChem (CID 53230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).