methyl 2-oxopyrrolidine-1-carboxylate

C6H9NO3 — CID 10855574

IUPACmethyl 2-oxopyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1=O
InChIInChI=1S/C6H9NO3/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3
InChIKeyWFYCWAPHNCARGR-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.38
Rot. Bonds

About methyl 2-oxopyrrolidine-1-carboxylate

methyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 10855574) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxopyrrolidine-1-carboxylate
PubChem CID10855574
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethyl 2-oxopyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1=O
InChIInChI=1S/C6H9NO3/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3
InChIKeyWFYCWAPHNCARGR-UHFFFAOYSA-N
XLogP0.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-oxopyrrolidine-1-carboxylate (CID 10855574) is methyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-oxopyrrolidine-1-carboxylate is COC(=O)N1CCCC1=O.
What is the InChIKey of methyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is WFYCWAPHNCARGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-10-6(9)7-4-2-3-5(7)8/h2-4H2,1H3.
What are the key properties of methyl 2-oxopyrrolidine-1-carboxylate?
methyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 143.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 10855574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).