(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide

C11H16N4O — CID 61164015

IUPAC(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
SMILESN#CCCN(CCC#N)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H16N4O/c12-5-2-8-15(9-3-6-13)11(16)10-4-1-7-14-10/h10,14H,1-4,7-9H2/t10-/m0/s1
InChIKeyXFCZETRFGPOXIS-JTQLQIEISA-N
MW220.28 g/mol
LogP0.39
Rot. Bonds5

About (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide

(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide (PubChem CID 61164015) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
PubChem CID61164015
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
SMILESN#CCCN(CCC#N)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H16N4O/c12-5-2-8-15(9-3-6-13)11(16)10-4-1-7-14-10/h10,14H,1-4,7-9H2/t10-/m0/s1
InChIKeyXFCZETRFGPOXIS-JTQLQIEISA-N
XLogP0.39
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 63286424
(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61157251
(2S)-N-(2-cyanoethyl)-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93375201
N-(2-cyanoethyl)-N-cyclopropylazepane-2-carboxamide
CID 64563457
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
methyl 2-[propyl-[(2S)-pyrrolidine-2-carbonyl]amino]acetate
CID 61165277
N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60963860
(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61165514

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide (CID 61164015) is (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide is N#CCCN(CCC#N)C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide?
The InChIKey is XFCZETRFGPOXIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N4O/c12-5-2-8-15(9-3-6-13)11(16)10-4-1-7-14-10/h10,14H,1-4,7-9H2/t10-/m0/s1.
What are the key properties of (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide?
(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61164015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).