N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide

C8H14N2O2 — CID 75094596

IUPACN,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1CC(=O)NC1C(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-5-4-6(11)9-7(5)8(12)10(2)3/h5,7H,4H2,1-3H3,(H,9,11)
InChIKeyAVUXGNHIUPJLII-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.40
Rot. Bonds1

About N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide

N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 75094596) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID75094596
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1CC(=O)NC1C(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-5-4-6(11)9-7(5)8(12)10(2)3/h5,7H,4H2,1-3H3,(H,9,11)
InChIKeyAVUXGNHIUPJLII-UHFFFAOYSA-N
XLogP-0.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide (CID 75094596) is N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide is CC1CC(=O)NC1C(=O)N(C)C.
What is the InChIKey of N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is AVUXGNHIUPJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-5-4-6(11)9-7(5)8(12)10(2)3/h5,7H,4H2,1-3H3,(H,9,11).
What are the key properties of N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide?
N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 170.21 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 75094596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).