4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide

C10H16N2O2 — CID 106230325

IUPAC4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
SMILESC#CC(CC)NC(=O)C1CC(O)CN1
InChIInChI=1S/C10H16N2O2/c1-3-7(4-2)12-10(14)9-5-8(13)6-11-9/h1,7-9,11,13H,4-6H2,2H3,(H,12,14)
InChIKeyWNUABZDULAUVNO-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.76
Rot. Bonds3

About 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide

4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide (PubChem CID 106230325) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
PubChem CID106230325
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
SMILESC#CC(CC)NC(=O)C1CC(O)CN1
InChIInChI=1S/C10H16N2O2/c1-3-7(4-2)12-10(14)9-5-8(13)6-11-9/h1,7-9,11,13H,4-6H2,2H3,(H,12,14)
InChIKeyWNUABZDULAUVNO-UHFFFAOYSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
N-pent-1-yn-3-ylthiomorpholine-3-carboxamide
CID 106230343
N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230323
N-pent-1-yn-3-yl-2-azabicyclo[2.1.1]hexane-5-carboxamide
CID 130787810
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223865
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
N-[1-(4-bromophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705008
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
(3R)-N-pent-1-yn-3-ylpiperidine-3-carboxamide
CID 106230318
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide (CID 106230325) is 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide is C#CC(CC)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide?
The InChIKey is WNUABZDULAUVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-7(4-2)12-10(14)9-5-8(13)6-11-9/h1,7-9,11,13H,4-6H2,2H3,(H,12,14).
What are the key properties of 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide?
4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106230325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).