ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate

C8H11NO3 — CID 143565189

IUPACethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@H](C(=O)OCC)NC1=O
InChIInChI=1S/C8H11NO3/c1-3-12-8(11)6-4-5(2)7(10)9-6/h6H,2-4H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyIVRHPQDKQKQGQC-ZCFIWIBFSA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

About ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate

ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate (PubChem CID 143565189) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
PubChem CID143565189
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate
SMILESC=C1C[C@H](C(=O)OCC)NC1=O
InChIInChI=1S/C8H11NO3/c1-3-12-8(11)6-4-5(2)7(10)9-6/h6H,2-4H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyIVRHPQDKQKQGQC-ZCFIWIBFSA-N
XLogP-0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
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 ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate (CID 143565189) is ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate is C=C1C[C@H](C(=O)OCC)NC1=O.
What is the InChIKey of ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
The InChIKey is IVRHPQDKQKQGQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-12-8(11)6-4-5(2)7(10)9-6/h6H,2-4H2,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate?
ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate has a molecular weight of 169.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-methylidene-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 143565189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).