3-(methylamino)-2-oxo-N-prop-2-enylpropanamide

C7H12N2O2 — CID 143353566

IUPAC3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(=O)CNC
InChIInChI=1S/C7H12N2O2/c1-3-4-9-7(11)6(10)5-8-2/h3,8H,1,4-5H2,2H3,(H,9,11)
InChIKeyCNDCQUXBLDOFMJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.92
Rot. Bonds5

About 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide

3-(methylamino)-2-oxo-N-prop-2-enylpropanamide (PubChem CID 143353566) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
PubChem CID143353566
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(=O)CNC
InChIInChI=1S/C7H12N2O2/c1-3-4-9-7(11)6(10)5-8-2/h3,8H,1,4-5H2,2H3,(H,9,11)
InChIKeyCNDCQUXBLDOFMJ-UHFFFAOYSA-N
XLogP-0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
2-methyl-N-prop-2-enylhexa-2,5-dienamide
CID 174329237
methanethiol;prop-2-enylcarbamic acid
CID 175464551
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-methylprop-2-en-1-amine;prop-2-enamide
CID 175303196
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
2,4-dioxo-4-phenyl-N-prop-2-enylbutanamide
CID 24834538
prop-2-enylcarbamic acid;hydrate
CID 173458484
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
3-oxo-3-(prop-2-enylamino)prop-1-ene-2-sulfonic acid
CID 87500396

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide?
The IUPAC name of 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide (CID 143353566) is 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide is C=CCNC(=O)C(=O)CNC.
What is the InChIKey of 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide?
The InChIKey is CNDCQUXBLDOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-9-7(11)6(10)5-8-2/h3,8H,1,4-5H2,2H3,(H,9,11).
What are the key properties of 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide?
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide has a molecular weight of 156.18 g/mol, XLogP of -0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-oxo-N-prop-2-enylpropanamide is sourced from PubChem (CID 143353566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).