N-methyl-2-(2-oxoethylamino)prop-2-enamide

C6H10N2O2 — CID 89176318

IUPACN-methyl-2-(2-oxoethylamino)prop-2-enamide
SMILESC=C(NCC=O)C(=O)NC
InChIInChI=1S/C6H10N2O2/c1-5(6(10)7-2)8-3-4-9/h4,8H,1,3H2,2H3,(H,7,10)
InChIKeyBNZJOXKLIVPRPQ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.97
Rot. Bonds4

About N-methyl-2-(2-oxoethylamino)prop-2-enamide

N-methyl-2-(2-oxoethylamino)prop-2-enamide (PubChem CID 89176318) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-methyl-2-(2-oxoethylamino)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxoethylamino)prop-2-enamide
PubChem CID89176318
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-methyl-2-(2-oxoethylamino)prop-2-enamide
SMILESC=C(NCC=O)C(=O)NC
InChIInChI=1S/C6H10N2O2/c1-5(6(10)7-2)8-3-4-9/h4,8H,1,3H2,2H3,(H,7,10)
InChIKeyBNZJOXKLIVPRPQ-UHFFFAOYSA-N
XLogP-0.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.97
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxoethylamino)prop-2-enamide?
The IUPAC name of N-methyl-2-(2-oxoethylamino)prop-2-enamide (CID 89176318) is N-methyl-2-(2-oxoethylamino)prop-2-enamide.
What is the SMILES notation for N-methyl-2-(2-oxoethylamino)prop-2-enamide?
The canonical SMILES for N-methyl-2-(2-oxoethylamino)prop-2-enamide is C=C(NCC=O)C(=O)NC.
What is the InChIKey of N-methyl-2-(2-oxoethylamino)prop-2-enamide?
The InChIKey is BNZJOXKLIVPRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(6(10)7-2)8-3-4-9/h4,8H,1,3H2,2H3,(H,7,10).
What are the key properties of N-methyl-2-(2-oxoethylamino)prop-2-enamide?
N-methyl-2-(2-oxoethylamino)prop-2-enamide has a molecular weight of 142.16 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxoethylamino)prop-2-enamide is sourced from PubChem (CID 89176318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).