2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide

C12H22N2O2 — CID 79389054

IUPAC2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)C1CCCO1
InChIInChI=1S/C12H22N2O2/c1-8-10(5-6-13-8)12(15)14-9(2)11-4-3-7-16-11/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyAZGAGUAJPHZBOT-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds3

About 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide

2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 79389054) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID79389054
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1C)C1CCCO1
InChIInChI=1S/C12H22N2O2/c1-8-10(5-6-13-8)12(15)14-9(2)11-4-3-7-16-11/h8-11,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyAZGAGUAJPHZBOT-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
CID 120623026
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
CID 64563784
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905786
2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79388540
(2S,3S)-2-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 97050937
3-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79388459
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
2-(3-methylpiperidin-2-yl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 107147559
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11895760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 79389054) is 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1C)C1CCCO1.
What is the InChIKey of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is AZGAGUAJPHZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8-10(5-6-13-8)12(15)14-9(2)11-4-3-7-16-11/h8-11,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide?
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79389054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).