(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide

C8H12N4O — CID 131311129

IUPAC(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
SMILESC/C(=C/CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H12N4O/c1-6(2-3-9)7(13)12-8-10-4-5-11-8/h2,4-5H,3,9H2,1H3,(H2,10,11,12,13)/b6-2-
InChIKeyOVVDIKGNLFALMJ-KXFIGUGUSA-N
MW180.21 g/mol
LogP0.25
Rot. Bonds3

About (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide

(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide (PubChem CID 131311129) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
PubChem CID131311129
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
SMILESC/C(=C/CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H12N4O/c1-6(2-3-9)7(13)12-8-10-4-5-11-8/h2,4-5H,3,9H2,1H3,(H2,10,11,12,13)/b6-2-
InChIKeyOVVDIKGNLFALMJ-KXFIGUGUSA-N
XLogP0.25
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide?
The IUPAC name of (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide (CID 131311129) is (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide.
What is the SMILES notation for (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide?
The canonical SMILES for (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide is C/C(=C/CN)C(=O)Nc1ncc[nH]1.
What is the InChIKey of (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide?
The InChIKey is OVVDIKGNLFALMJ-KXFIGUGUSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(2-3-9)7(13)12-8-10-4-5-11-8/h2,4-5H,3,9H2,1H3,(H2,10,11,12,13)/b6-2-.
What are the key properties of (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide?
(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide has a molecular weight of 180.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide is sourced from PubChem (CID 131311129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).