N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide

C10H17N3O — CID 78969862

IUPACN-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCC(C#N)CN(C)C(=O)N1CCCC1
InChIInChI=1S/C10H17N3O/c1-9(7-11)8-12(2)10(14)13-5-3-4-6-13/h9H,3-6,8H2,1-2H3
InChIKeyYSIWOTCPQGKVFY-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.29
Rot. Bonds2

About N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide

N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 78969862) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID78969862
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
SMILESCC(C#N)CN(C)C(=O)N1CCCC1
InChIInChI=1S/C10H17N3O/c1-9(7-11)8-12(2)10(14)13-5-3-4-6-13/h9H,3-6,8H2,1-2H3
InChIKeyYSIWOTCPQGKVFY-UHFFFAOYSA-N
XLogP1.29
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
1-[2-cyanopropyl(methyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983802
(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
3-tert-butyl-1-(2-cyanopropyl)-1-methylurea
CID 60970717
3-[ethyl-(4-oxo-4-piperidin-1-ylbutyl)amino]-2-methylpropanenitrile
CID 102562528
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(2-cyanopropyl)-N,3-dimethyl-2-sulfanylbutanamide
CID 107026270
2-bromo-N-(2-cyanopropyl)-N,2-dimethylpropanamide
CID 114328285

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide (CID 78969862) is N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide is CC(C#N)CN(C)C(=O)N1CCCC1.
What is the InChIKey of N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is YSIWOTCPQGKVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9(7-11)8-12(2)10(14)13-5-3-4-6-13/h9H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide?
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 78969862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).