(E)-3-amino-2-(methylamino)prop-2-enamide

C4H9N3O — CID 20659858

IUPAC(E)-3-amino-2-(methylamino)prop-2-enamide
SMILESCN/C(=C/N)C(N)=O
InChIInChI=1S/C4H9N3O/c1-7-3(2-5)4(6)8/h2,7H,5H2,1H3,(H2,6,8)/b3-2+
InChIKeyGJJKCAJUQOXGLS-NSCUHMNNSA-N
MW115.14 g/mol
LogP-1.51
Rot. Bonds2

About (E)-3-amino-2-(methylamino)prop-2-enamide

(E)-3-amino-2-(methylamino)prop-2-enamide (PubChem CID 20659858) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (E)-3-amino-2-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-amino-2-(methylamino)prop-2-enamide
PubChem CID20659858
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(E)-3-amino-2-(methylamino)prop-2-enamide
SMILESCN/C(=C/N)C(N)=O
InChIInChI=1S/C4H9N3O/c1-7-3(2-5)4(6)8/h2,7H,5H2,1H3,(H2,6,8)/b3-2+
InChIKeyGJJKCAJUQOXGLS-NSCUHMNNSA-N
XLogP-1.51
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.51
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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Related Compounds

2-acetamido-N-ethylprop-2-enamide
CID 76315090
2-(Methylamino)prop-2-enamide
CID 19776246
1,4-Dihydropyrazinamide
CID 52944544
dehydroalanine N-methyl amide
CID 57749610
N-methyl-2-(methylamino)prop-2-enamide
CID 57978903
3-Carbamoylazirine
CID 129790180
2-(dimethylamino)-N-ethylprop-2-enamide
CID 10419291
2-(Dimethylamino)prop-2-enamide
CID 18674886
1,2,3,4-Tetrahydropyrazine-5-carboxamide
CID 18688647
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 18688654
2-(Diethylamino)prop-2-enamide
CID 19745677
2,3-dihydro-1H-imidazole-4-carboxamide
CID 21082121

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-(methylamino)prop-2-enamide?
The IUPAC name of (E)-3-amino-2-(methylamino)prop-2-enamide (CID 20659858) is (E)-3-amino-2-(methylamino)prop-2-enamide.
What is the SMILES notation for (E)-3-amino-2-(methylamino)prop-2-enamide?
The canonical SMILES for (E)-3-amino-2-(methylamino)prop-2-enamide is CN/C(=C/N)C(N)=O.
What is the InChIKey of (E)-3-amino-2-(methylamino)prop-2-enamide?
The InChIKey is GJJKCAJUQOXGLS-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7-3(2-5)4(6)8/h2,7H,5H2,1H3,(H2,6,8)/b3-2+.
What are the key properties of (E)-3-amino-2-(methylamino)prop-2-enamide?
(E)-3-amino-2-(methylamino)prop-2-enamide has a molecular weight of 115.14 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-(methylamino)prop-2-enamide is sourced from PubChem (CID 20659858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).