(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen

C10H17N3O — CID 144833032

IUPAC(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
SMILESCC(C)NC(=O)/C=C/Cn1ccnc1.[H][H]
InChIInChI=1S/C10H15N3O.H2/c1-9(2)12-10(14)4-3-6-13-7-5-11-8-13;/h3-5,7-9H,6H2,1-2H3,(H,12,14);1H/b4-3+;
InChIKeyLVXYKDGMEMLXQE-BJILWQEISA-N
MW195.27 g/mol
LogP1.21
Rot. Bonds4

About (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen

(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen (PubChem CID 144833032) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen.

Molecular Properties

Compound Name(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
PubChem CID144833032
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen
SMILESCC(C)NC(=O)/C=C/Cn1ccnc1.[H][H]
InChIInChI=1S/C10H15N3O.H2/c1-9(2)12-10(14)4-3-6-13-7-5-11-8-13;/h3-5,7-9H,6H2,1-2H3,(H,12,14);1H/b4-3+;
InChIKeyLVXYKDGMEMLXQE-BJILWQEISA-N
XLogP1.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-but-2-enyl]imidazole
CID 45087139
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
3-(4-imidazol-1-ylbutylamino)-N-propan-2-ylpropanamide
CID 62625374
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
methyl 2-ethyl-4-imidazol-1-ylbut-2-enoate
CID 77101269
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503

Frequently Asked Questions

What is the IUPAC name of (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen?
The IUPAC name of (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen (CID 144833032) is (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen.
What is the SMILES notation for (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen?
The canonical SMILES for (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen is CC(C)NC(=O)/C=C/Cn1ccnc1.[H][H].
What is the InChIKey of (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen?
The InChIKey is LVXYKDGMEMLXQE-BJILWQEISA-N. The full InChI is InChI=1S/C10H15N3O.H2/c1-9(2)12-10(14)4-3-6-13-7-5-11-8-13;/h3-5,7-9H,6H2,1-2H3,(H,12,14);1H/b4-3+;.
What are the key properties of (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen?
(E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen has a molecular weight of 195.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imidazol-1-yl-N-propan-2-ylbut-2-enamide;molecular hydrogen is sourced from PubChem (CID 144833032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).