(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate

C11H16N2O4 — CID 126576248

IUPAC(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
SMILESC#CCCCCNC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C11H16N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h1,9,14H,3-8H2,(H,12,16)
InChIKeyJQGXYFFAETWQPU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.37
Rot. Bonds5

About (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate

(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate (PubChem CID 126576248) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate.

Molecular Properties

Compound Name(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
PubChem CID126576248
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate
SMILESC#CCCCCNC(=O)ON1C(=O)CCC1O
InChIInChI=1S/C11H16N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h1,9,14H,3-8H2,(H,12,16)
InChIKeyJQGXYFFAETWQPU-UHFFFAOYSA-N
XLogP0.37
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl (2S)-2-[[(2S)-6-[(2-hydroxy-5-oxopyrrolidin-1-yl)oxycarbonylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 167227922
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
methyl N-hex-5-ynylcarbamate
CID 103758218
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoacetate
CID 148605388
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(butanoylamino)propanoate
CID 129151276
3-amino-N-hex-5-ynylcyclopentane-1-carboxamide
CID 106212981
4-amino-N-pent-4-ynylcyclohexane-1-carboxamide
CID 106221983
(2-hydroxy-5-oxopyrrolidin-1-yl) 2-iodoethyl carbonate
CID 156562908
(2-hydroxy-5-oxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxopyrrolidin-1-yl)propanoate
CID 166715042
phenyl N-hex-5-ynylcarbamate
CID 103758023
N-hex-5-ynylpyrrolidine-3-carboxamide
CID 106213094
[(2S)-2-hydroxy-5-oxopyrrolidin-1-yl] 4-oxobutanoate
CID 89325456

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate?
The IUPAC name of (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate (CID 126576248) is (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate.
What is the SMILES notation for (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate?
The canonical SMILES for (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate is C#CCCCCNC(=O)ON1C(=O)CCC1O.
What is the InChIKey of (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate?
The InChIKey is JQGXYFFAETWQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-3-4-5-8-12-11(16)17-13-9(14)6-7-10(13)15/h1,9,14H,3-8H2,(H,12,16).
What are the key properties of (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate?
(2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate has a molecular weight of 240.26 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxopyrrolidin-1-yl) N-hex-5-ynylcarbamate is sourced from PubChem (CID 126576248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).