2,2-dimethyl-4-oxopyrrolidine-1-carboxamide

C7H12N2O2 — CID 146082191

IUPAC2,2-dimethyl-4-oxopyrrolidine-1-carboxamide
SMILESCC1(C)CC(=O)CN1C(N)=O
InChIInChI=1S/C7H12N2O2/c1-7(2)3-5(10)4-9(7)6(8)11/h3-4H2,1-2H3,(H2,8,11)
InChIKeyQONFHOUVFGIHDB-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.12
Rot. Bonds

About 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide

2,2-dimethyl-4-oxopyrrolidine-1-carboxamide (PubChem CID 146082191) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-4-oxopyrrolidine-1-carboxamide
PubChem CID146082191
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2,2-dimethyl-4-oxopyrrolidine-1-carboxamide
SMILESCC1(C)CC(=O)CN1C(N)=O
InChIInChI=1S/C7H12N2O2/c1-7(2)3-5(10)4-9(7)6(8)11/h3-4H2,1-2H3,(H2,8,11)
InChIKeyQONFHOUVFGIHDB-UHFFFAOYSA-N
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide (CID 146082191) is 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide is CC1(C)CC(=O)CN1C(N)=O.
What is the InChIKey of 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide?
The InChIKey is QONFHOUVFGIHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2)3-5(10)4-9(7)6(8)11/h3-4H2,1-2H3,(H2,8,11).
What are the key properties of 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide?
2,2-dimethyl-4-oxopyrrolidine-1-carboxamide has a molecular weight of 156.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 146082191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).