4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide

C11H22N2O — CID 63720958

IUPAC4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2O/c1-4-5-9(3)13-11(14)10-7-12-6-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyOECFXNJPXLOJBM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.15
Rot. Bonds4

About 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide

4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide (PubChem CID 63720958) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
PubChem CID63720958
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CNCC1C
InChIInChI=1S/C11H22N2O/c1-4-5-9(3)13-11(14)10-7-12-6-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyOECFXNJPXLOJBM-UHFFFAOYSA-N
XLogP1.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
(3S,4S)-N-[4-(furan-2-yl)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084833
4-methyl-N-(1-thiophen-2-ylbutyl)pyrrolidine-3-carboxamide
CID 63716522
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide (CID 63720958) is 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide is CCCC(C)NC(=O)C1CNCC1C.
What is the InChIKey of 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OECFXNJPXLOJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-9(3)13-11(14)10-7-12-6-8(10)2/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide?
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63720958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).