methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate

C7H9NO3 — CID 10855700

IUPACmethyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@@H](C(=O)OC)NC1=O
InChIInChI=1S/C7H9NO3/c1-4-3-5(7(10)11-2)8-6(4)9/h5H,1,3H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyFPEXMFLDKAVODR-YFKPBYRVSA-N
MW155.15 g/mol
LogP-0.40
Rot. Bonds1

About methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate

methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate (PubChem CID 10855700) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate
PubChem CID10855700
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@@H](C(=O)OC)NC1=O
InChIInChI=1S/C7H9NO3/c1-4-3-5(7(10)11-2)8-6(4)9/h5H,1,3H2,2H3,(H,8,9)/t5-/m0/s1
InChIKeyFPEXMFLDKAVODR-YFKPBYRVSA-N
XLogP-0.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate (CID 10855700) is methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate is C=C1C[C@@H](C(=O)OC)NC1=O.
What is the InChIKey of methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The InChIKey is FPEXMFLDKAVODR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-3-5(7(10)11-2)8-6(4)9/h5H,1,3H2,2H3,(H,8,9)/t5-/m0/s1.
What are the key properties of methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate has a molecular weight of 155.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methylidene-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 10855700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).