3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate

C12H21NO3 — CID 59148760

IUPAC3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
SMILESCCC(CC)(CC)OC(=O)N1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-4-12(5-2,6-3)16-11(15)13-9-7-8-10(13)14/h4-9H2,1-3H3
InChIKeyAJWUOLNRSIVLSR-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.71
Rot. Bonds4

About 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate

3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate (PubChem CID 59148760) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
PubChem CID59148760
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate
SMILESCCC(CC)(CC)OC(=O)N1CCCC1=O
InChIInChI=1S/C12H21NO3/c1-4-12(5-2,6-3)16-11(15)13-9-7-8-10(13)14/h4-9H2,1-3H3
InChIKeyAJWUOLNRSIVLSR-UHFFFAOYSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
3-[(2S)-2-methylcyclohexyl]pentan-3-yl 2-oxopyrrolidine-1-carboxylate
CID 89484278
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 2-oxopyrrolidine-1-carboxylate
CID 157302779
2-cycloheptylpropan-2-yl 2-oxopyrrolidine-1-carboxylate
CID 123751962
1-(dimethylamino)ethyl 2-oxopyrrolidine-1-carboxylate
CID 154183318
tert-butyl 2-oxo-5-propylazepane-1-carboxylate
CID 25116621
ethyl 2-diazo-3-oxo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 85176926
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
1-decanoylpyrrolidin-2-one
CID 11021000
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate (CID 59148760) is 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate is CCC(CC)(CC)OC(=O)N1CCCC1=O.
What is the InChIKey of 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is AJWUOLNRSIVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-12(5-2,6-3)16-11(15)13-9-7-8-10(13)14/h4-9H2,1-3H3.
What are the key properties of 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate?
3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentan-3-yl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 59148760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).