2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide

C11H18N2O — CID 79384521

IUPAC2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CCNC1C
InChIInChI=1S/C11H18N2O/c1-5-11(3,4)13-10(14)9-6-7-12-8(9)2/h1,8-9,12H,6-7H2,2-4H3,(H,13,14)
InChIKeyAOAOJUXEZDBRKL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.51
Rot. Bonds2

About 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide

2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide (PubChem CID 79384521) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
PubChem CID79384521
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1CCNC1C
InChIInChI=1S/C11H18N2O/c1-5-11(3,4)13-10(14)9-6-7-12-8(9)2/h1,8-9,12H,6-7H2,2-4H3,(H,13,14)
InChIKeyAOAOJUXEZDBRKL-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389113
2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-methyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79798216
N,2-dimethylpyrrolidine-3-carboxamide
CID 79382983
2-methylpyrrolidine-3-carbohydrazide
CID 79384311
2-hydroxy-2-methyl-3-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79385228
N-[2-(tert-butylamino)-2-oxoethyl]-2-methylpyrrolidine-3-carboxamide
CID 79388327
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 79388783
2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide (CID 79384521) is 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide is C#CC(C)(C)NC(=O)C1CCNC1C.
What is the InChIKey of 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is AOAOJUXEZDBRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-11(3,4)13-10(14)9-6-7-12-8(9)2/h1,8-9,12H,6-7H2,2-4H3,(H,13,14).
What are the key properties of 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide?
2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbut-3-yn-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 79384521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).