propyl 2-oxopyrrolidine-1-carboxylate

C8H13NO3 — CID 54526452

IUPACpropyl 2-oxopyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6-12-8(11)9-5-3-4-7(9)10/h2-6H2,1H3
InChIKeyYTLHAWKUXSUXIR-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.16
Rot. Bonds2

About propyl 2-oxopyrrolidine-1-carboxylate

propyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 54526452) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is propyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-oxopyrrolidine-1-carboxylate
PubChem CID54526452
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Namepropyl 2-oxopyrrolidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC1=O
InChIInChI=1S/C8H13NO3/c1-2-6-12-8(11)9-5-3-4-7(9)10/h2-6H2,1H3
InChIKeyYTLHAWKUXSUXIR-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 59148760
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
propyl 2-oxo-1,3-thiazolidine-3-carboxylate
CID 45119290
butyl 2,4-dioxopiperidine-1-carboxylate
CID 175709097
2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate
CID 70354493
propyl azepane-1-carboxylate
CID 91585333
ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147
1-decanoylpyrrolidin-2-one
CID 11021000
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
CID 154183318
ethyl 2-diazo-3-oxo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 85176926
nonyl 2-(2-oxopyrrolidin-1-yl)acetate
CID 10778404

Frequently Asked Questions

What is the IUPAC name of propyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of propyl 2-oxopyrrolidine-1-carboxylate (CID 54526452) is propyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for propyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for propyl 2-oxopyrrolidine-1-carboxylate is CCCOC(=O)N1CCCC1=O.
What is the InChIKey of propyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is YTLHAWKUXSUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-6-12-8(11)9-5-3-4-7(9)10/h2-6H2,1H3.
What are the key properties of propyl 2-oxopyrrolidine-1-carboxylate?
propyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 54526452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).