1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

C13H24N2O2 — CID 3243347

IUPAC1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC(C)C)CC1=O
InChIInChI=1S/C13H24N2O2/c1-9(2)5-6-15-8-11(7-12(15)16)13(17)14-10(3)4/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyKNVHILSZWBCOQA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide

1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 3243347) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID3243347
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC(C)C)CC1=O
InChIInChI=1S/C13H24N2O2/c1-9(2)5-6-15-8-11(7-12(15)16)13(17)14-10(3)4/h9-11H,5-8H2,1-4H3,(H,14,17)
InChIKeyKNVHILSZWBCOQA-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide (CID 3243347) is 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NC(C)C)CC1=O.
What is the InChIKey of 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is KNVHILSZWBCOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)5-6-15-8-11(7-12(15)16)13(17)14-10(3)4/h9-11H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide?
1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3243347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).