(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide

C8H11N3O — CID 25129634

IUPAC(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C8H11N3O/c1-2-10-8(12)4-3-7-5-9-6-11-7/h3-6H,2H2,1H3,(H,9,11)(H,10,12)/b4-3+
InChIKeyWZRGXWWOSLLPHF-ONEGZZNKSA-N
MW165.20 g/mol
LogP0.56
Rot. Bonds3

About (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide

(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 25129634) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID25129634
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCCNC(=O)/C=C/c1cnc[nH]1
InChIInChI=1S/C8H11N3O/c1-2-10-8(12)4-3-7-5-9-6-11-7/h3-6H,2H2,1H3,(H,9,11)(H,10,12)/b4-3+
InChIKeyWZRGXWWOSLLPHF-ONEGZZNKSA-N
XLogP0.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.56
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-5-yl)-N-methylprop-2-enamide
CID 91343948
(E)-3-(1H-imidazol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
CID 6443545
6-[[(E)-3-(1H-imidazol-5-yl)prop-2-enoyl]amino]hexanoic acid
CID 129303294
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)-N-[2-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 171776527
3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 1178
3-(1H-imidazol-5-yl)prop-2-enoate
CID 5460648
1-ethyl-3-[(E)-1H-imidazol-5-ylmethylideneamino]urea
CID 137274384
potassium 3-(1H-imidazol-5-yl)prop-2-enoate
CID 67892362
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide (CID 25129634) is (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide is CCNC(=O)/C=C/c1cnc[nH]1.
What is the InChIKey of (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is WZRGXWWOSLLPHF-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-8(12)4-3-7-5-9-6-11-7/h3-6H,2H2,1H3,(H,9,11)(H,10,12)/b4-3+.
What are the key properties of (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide?
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 165.20 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 25129634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).