(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide

C7H13N3O2 — CID 142157976

IUPAC(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
SMILESCNC(=O)/C(=C/N(C)C=O)NC
InChIInChI=1S/C7H13N3O2/c1-8-6(7(12)9-2)4-10(3)5-11/h4-5,8H,1-3H3,(H,9,12)/b6-4-
InChIKeyYQCXKVNZPUUBMG-XQRVVYSFSA-N
MW171.20 g/mol
LogP-1.12
Rot. Bonds4

About (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide

(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide (PubChem CID 142157976) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
PubChem CID142157976
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide
SMILESCNC(=O)/C(=C/N(C)C=O)NC
InChIInChI=1S/C7H13N3O2/c1-8-6(7(12)9-2)4-10(3)5-11/h4-5,8H,1-3H3,(H,9,12)/b6-4-
InChIKeyYQCXKVNZPUUBMG-XQRVVYSFSA-N
XLogP-1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(methylamino)prop-2-enamide
CID 57978903
2-[acetyl(methyl)amino]-N-methylprop-2-enamide
CID 102342339
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxamide
CID 18688654
(E)-3-amino-2-(methylamino)prop-2-enamide
CID 20659858
1-acetyl-4-formyl-N-methyl-2,3-dihydropyrazine-5-carboxamide
CID 54163101
2,3-diamino-N-methylprop-2-enamide
CID 88233704
2-(dimethylamino)-N-methylprop-2-enamide
CID 88479079
(Z)-2-amino-3-(methylamino)prop-2-enamide
CID 89017219
N-methyl-2-(2-oxoethylamino)prop-2-enamide
CID 89176318
(Z)-3-amino-2-(methylamino)prop-2-enamide
CID 89333822
N-methyl-5,6-dioxo-1,4-dihydropyrazine-2-carboxamide
CID 89986474
(Z)-3-amino-2-(2-oxoethylamino)prop-2-enamide
CID 122642975

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide?
The IUPAC name of (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide (CID 142157976) is (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide.
What is the SMILES notation for (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide?
The canonical SMILES for (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide is CNC(=O)/C(=C/N(C)C=O)NC.
What is the InChIKey of (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide?
The InChIKey is YQCXKVNZPUUBMG-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-8-6(7(12)9-2)4-10(3)5-11/h4-5,8H,1-3H3,(H,9,12)/b6-4-.
What are the key properties of (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide?
(Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide has a molecular weight of 171.20 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[formyl(methyl)amino]-N-methyl-2-(methylamino)prop-2-enamide is sourced from PubChem (CID 142157976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).