N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide

C9H18N2O — CID 21355300

IUPACN-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-4-5-8(11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyAXGGGMRGGANHCZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide

N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 21355300) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID21355300
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(C)C
InChIInChI=1S/C9H18N2O/c1-7(2)11-6-4-5-8(11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyAXGGGMRGGANHCZ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
1-(4-hydrazinyl-3-methyl-4-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 79408269
1-[1-(4-aminophenyl)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 54986110
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 63577874
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 75529692
ethane;1-[1-(1-hydroxyethyl)pyrrolidin-2-yl]ethanone
CID 142147232
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
propan-2-yl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 116654854
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
CID 83041390
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide (CID 21355300) is N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is AXGGGMRGGANHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)11-6-4-5-8(11)9(12)10-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide?
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 21355300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).