2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide

C10H16N2O2 — CID 19816399

IUPAC2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)10(14)11-8(3)12-6-4-5-9(12)13/h8H,1,4-6H2,2-3H3,(H,11,14)
InChIKeySMSXMKGPWHPIMV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds3

About 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide

2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide (PubChem CID 19816399) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
PubChem CID19816399
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCCC1=O
InChIInChI=1S/C10H16N2O2/c1-7(2)10(14)11-8(3)12-6-4-5-9(12)13/h8H,1,4-6H2,2-3H3,(H,11,14)
InChIKeySMSXMKGPWHPIMV-UHFFFAOYSA-N
XLogP0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide (CID 19816399) is 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide is C=C(C)C(=O)NC(C)N1CCCC1=O.
What is the InChIKey of 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
The InChIKey is SMSXMKGPWHPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)10(14)11-8(3)12-6-4-5-9(12)13/h8H,1,4-6H2,2-3H3,(H,11,14).
What are the key properties of 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide?
2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-oxopyrrolidin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 19816399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).