N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

C11H19N3O2 — CID 63286424

IUPACN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)C1CCCN1
InChIInChI=1S/C11H19N3O2/c1-16-9-8-14(7-3-5-12)11(15)10-4-2-6-13-10/h10,13H,2-4,6-9H2,1H3
InChIKeyHXUKFYLIKQTIPN-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.13
Rot. Bonds6

About N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 63286424) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
PubChem CID63286424
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
SMILESCOCCN(CCC#N)C(=O)C1CCCN1
InChIInChI=1S/C11H19N3O2/c1-16-9-8-14(7-3-5-12)11(15)10-4-2-6-13-10/h10,13H,2-4,6-9H2,1H3
InChIKeyHXUKFYLIKQTIPN-UHFFFAOYSA-N
XLogP0.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
CID 61164015
2-[2-methoxyethyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869714
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
N-(2-cyanoethyl)-N-(2-methoxyethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79884629
N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 54874369
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
(2R)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93376713
N-butyl-N-(2-methoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119322175
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 68805915
(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61157251
(2S)-N-(2-methoxyethyl)-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 61163560
(2R)-N-(3-methoxypropyl)-N-methylpyrrolidine-2-carboxamide
CID 94912304

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide (CID 63286424) is N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is COCCN(CCC#N)C(=O)C1CCCN1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is HXUKFYLIKQTIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-9-8-14(7-3-5-12)11(15)10-4-2-6-13-10/h10,13H,2-4,6-9H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide?
N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63286424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).