1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide

C9H13N3O2 — CID 130957847

IUPAC1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC#N)C1
InChIInChI=1S/C9H13N3O2/c1-11-9(14)7-3-5-12(6-7)8(13)2-4-10/h7H,2-3,5-6H2,1H3,(H,11,14)
InChIKeyBISFKNUMVRXTCE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.51
Rot. Bonds2

About 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide

1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 130957847) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID130957847
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)CC#N)C1
InChIInChI=1S/C9H13N3O2/c1-11-9(14)7-3-5-12(6-7)8(13)2-4-10/h7H,2-3,5-6H2,1H3,(H,11,14)
InChIKeyBISFKNUMVRXTCE-UHFFFAOYSA-N
XLogP-0.51
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyanoacetyl)-N-methylpyrrolidine-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

1-(2-cyanoacetyl)pyrrolidine-3-carboxamide
CID 104919327
1-(cyanomethyl)-N-methylpyrrolidine-3-carboxamide
CID 131219478
3-(4-acetylpiperidin-1-yl)-3-oxopropanenitrile;ethane
CID 144882446
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
methyl 1-(2-cyanoacetyl)piperidine-3-carboxylate
CID 110459560
3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 104920596
1-[2-(cyanomethylamino)-2-oxoacetyl]-N-methylpiperidine-3-carboxamide
CID 103195511
[1-(2-cyanoacetyl)pyrrolidin-3-yl]carbamic acid
CID 118077504
3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanenitrile
CID 43133331
3-oxo-3-(4-propylpiperidin-1-yl)propanenitrile
CID 62205964
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropanenitrile
CID 43620418
[1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]carbamic acid
CID 70922025

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide (CID 130957847) is 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(C(=O)CC#N)C1.
What is the InChIKey of 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is BISFKNUMVRXTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-11-9(14)7-3-5-12(6-7)8(13)2-4-10/h7H,2-3,5-6H2,1H3,(H,11,14).
What are the key properties of 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide?
1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoacetyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130957847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).