3-(1H-imidazol-5-yl)-N-methylprop-2-enamide

C7H9N3O — CID 91343948

IUPAC3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1cnc[nH]1
InChIInChI=1S/C7H9N3O/c1-8-7(11)3-2-6-4-9-5-10-6/h2-5H,1H3,(H,8,11)(H,9,10)
InChIKeyXPLUVVHVBQZZII-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.17
Rot. Bonds2

About 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide

3-(1H-imidazol-5-yl)-N-methylprop-2-enamide (PubChem CID 91343948) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
PubChem CID91343948
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1cnc[nH]1
InChIInChI=1S/C7H9N3O/c1-8-7(11)3-2-6-4-9-5-10-6/h2-5H,1H3,(H,8,11)(H,9,10)
InChIKeyXPLUVVHVBQZZII-UHFFFAOYSA-N
XLogP0.17
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.17
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

(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
ethane;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 90887883
ethane;(E)-4-(1H-imidazol-5-yl)but-3-en-2-one
CID 91008820
3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 1178
3-(1H-imidazol-5-yl)prop-2-enoate
CID 5460648
potassium 3-(1H-imidazol-5-yl)prop-2-enoate
CID 67892362
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
bis(3-(1H-imidazol-5-yl)prop-2-enoate);manganese(2+);hydrochloride
CID 67332546
(E)-1-(1H-imidazol-5-yl)-4-methylpent-1-en-3-one;molecular hydrogen
CID 167492334
6-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]hexanoic acid
CID 129303294
(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid;methanol;methyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;hydrochloride
CID 157315208
2-hydroxypropanoate;3-(1H-imidazol-5-yl)prop-2-enoate;manganese(2+)
CID 67331289

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide (CID 91343948) is 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide is CNC(=O)C=Cc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
The InChIKey is XPLUVVHVBQZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-8-7(11)3-2-6-4-9-5-10-6/h2-5H,1H3,(H,8,11)(H,9,10).
What are the key properties of 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide?
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide has a molecular weight of 151.17 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 91343948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).