1-methylpyrrolidine-2-carboxamide

C6H12N2O — CID 14245856

IUPAC1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(N)=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyIGERQMDMYFFQLC-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.43
Rot. Bonds1

About 1-methylpyrrolidine-2-carboxamide

1-methylpyrrolidine-2-carboxamide (PubChem CID 14245856) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylpyrrolidine-2-carboxamide
PubChem CID14245856
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name1-methylpyrrolidine-2-carboxamide
SMILESCN1CCCC1C(N)=O
InChIInChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)
InChIKeyIGERQMDMYFFQLC-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
(2S)-aminobutyryl-L-prolinamide
CID 11579307
L-norleucyl-L-prolinamide
CID 11615534
L-norvalyl-L-prolinamide
CID 11687141
N-Acetylprolinamide
CID 85395
Prolinamide, D-
CID 447554
(2R)-1-acetyl-N-methylpyrrolidine-2-carboxamide
CID 45116029

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-methylpyrrolidine-2-carboxamide (CID 14245856) is 1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylpyrrolidine-2-carboxamide is CN1CCCC1C(N)=O.
What is the InChIKey of 1-methylpyrrolidine-2-carboxamide?
The InChIKey is IGERQMDMYFFQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-4-2-3-5(8)6(7)9/h5H,2-4H2,1H3,(H2,7,9).
What are the key properties of 1-methylpyrrolidine-2-carboxamide?
1-methylpyrrolidine-2-carboxamide has a molecular weight of 128.18 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 14245856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).