2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide

C10H15NO3 — CID 15593825

IUPAC2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C10H15NO3/c1-7(2)10(14)11(5-8(3)12)6-9(4)13/h1,5-6H2,2-4H3
InChIKeyLENBALBNMRNBJN-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.57
Rot. Bonds5

About 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide

2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide (PubChem CID 15593825) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide
PubChem CID15593825
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CC(C)=O)CC(C)=O
InChIInChI=1S/C10H15NO3/c1-7(2)10(14)11(5-8(3)12)6-9(4)13/h1,5-6H2,2-4H3
InChIKeyLENBALBNMRNBJN-UHFFFAOYSA-N
XLogP0.57
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.57
H-Bond Donors ≤ 50
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 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide?
The IUPAC name of 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide (CID 15593825) is 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide is C=C(C)C(=O)N(CC(C)=O)CC(C)=O.
What is the InChIKey of 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide?
The InChIKey is LENBALBNMRNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)10(14)11(5-8(3)12)6-9(4)13/h1,5-6H2,2-4H3.
What are the key properties of 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide?
2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-bis(2-oxopropyl)prop-2-enamide is sourced from PubChem (CID 15593825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).