(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide

C10H14N2O2 — CID 103709621

IUPAC(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
SMILESC#CCC(C)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C10H14N2O2/c1-3-4-7(2)11-10(14)8-5-6-9(13)12-8/h1,7-8H,4-6H2,2H3,(H,11,14)(H,12,13)/t7?,8-/m1/s1
InChIKeyLJJKRPWWDSNNJH-BRFYHDHCSA-N
MW194.23 g/mol
LogP-0.21
Rot. Bonds3

About (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide

(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide (PubChem CID 103709621) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
PubChem CID103709621
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide
SMILESC#CCC(C)NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C10H14N2O2/c1-3-4-7(2)11-10(14)8-5-6-9(13)12-8/h1,7-8H,4-6H2,2H3,(H,11,14)(H,12,13)/t7?,8-/m1/s1
InChIKeyLJJKRPWWDSNNJH-BRFYHDHCSA-N
XLogP-0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2R)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 104872886
N-[(2S)-1-aminopropan-2-yl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 130609699
N-(4-ethylsulfanylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 71993237
N-(6-aminohexan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 59525111
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
2-oxo-N-pent-4-yn-2-yl-1,3-thiazolidine-4-carboxamide
CID 115668999
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
(2S)-N-(1-amino-1-oxopropan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 101002831
N-(1-cyano-3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 82287124
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 131841435

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide (CID 103709621) is (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide is C#CCC(C)NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide?
The InChIKey is LJJKRPWWDSNNJH-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-4-7(2)11-10(14)8-5-6-9(13)12-8/h1,7-8H,4-6H2,2H3,(H,11,14)(H,12,13)/t7?,8-/m1/s1.
What are the key properties of (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide?
(2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide has a molecular weight of 194.23 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-pent-4-yn-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103709621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).