N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide

C10H17N3O — CID 62647796

IUPACN-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CC#N)NC(=O)C1CCCN1
InChIInChI=1S/C10H17N3O/c1-2-8(5-6-11)13-10(14)9-4-3-7-12-9/h8-9,12H,2-5,7H2,1H3,(H,13,14)
InChIKeyZKXQWODEKBJAII-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide

N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 62647796) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID62647796
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide
SMILESCCC(CC#N)NC(=O)C1CCCN1
InChIInChI=1S/C10H17N3O/c1-2-8(5-6-11)13-10(14)9-4-3-7-12-9/h8-9,12H,2-5,7H2,1H3,(H,13,14)
InChIKeyZKXQWODEKBJAII-UHFFFAOYSA-N
XLogP0.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
N-(1-cyanobutan-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 102779353
N-[(2R)-1-amino-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 163300708
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
N-(1-hydroxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide
CID 61246606
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
methyl (3R)-4-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 71251227
2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
methyl 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoate
CID 14278857
N-(cyanomethyl)azocane-2-carboxamide
CID 130491299
N-(3-methylpentan-2-yl)azepane-2-carboxamide
CID 64564622

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide (CID 62647796) is N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide is CCC(CC#N)NC(=O)C1CCCN1.
What is the InChIKey of N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZKXQWODEKBJAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-8(5-6-11)13-10(14)9-4-3-7-12-9/h8-9,12H,2-5,7H2,1H3,(H,13,14).
What are the key properties of N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide?
N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62647796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).