N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C12H22N2O2 — CID 78981416

IUPACN-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CNC(=O)C1)C(C)C
InChIInChI=1S/C12H22N2O2/c1-8(2)7-14(9(3)4)12(16)10-5-11(15)13-6-10/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyJPBDYKPVFSXXAP-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.02
Rot. Bonds4

About N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 78981416) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID78981416
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CNC(=O)C1)C(C)C
InChIInChI=1S/C12H22N2O2/c1-8(2)7-14(9(3)4)12(16)10-5-11(15)13-6-10/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyJPBDYKPVFSXXAP-UHFFFAOYSA-N
XLogP1.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 78981416) is N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)CN(C(=O)C1CNC(=O)C1)C(C)C.
What is the InChIKey of N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JPBDYKPVFSXXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)7-14(9(3)4)12(16)10-5-11(15)13-6-10/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 78981416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).