ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate

C10H15NO3 — CID 70138530

IUPACethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-11-9(8)12/h6,8H,3-5H2,1-2H3,(H,11,12)
InChIKeyLSINSPRDAAXDEV-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.63
Rot. Bonds3

About ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate

ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate (PubChem CID 70138530) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
PubChem CID70138530
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
SMILESCCOC(=O)C(C)=CC1CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-11-9(8)12/h6,8H,3-5H2,1-2H3,(H,11,12)
InChIKeyLSINSPRDAAXDEV-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.63
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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Related Compounds

ethyl (E)-2-methyl-3-[(2S)-5-oxopyrrolidin-2-yl]prop-2-enoate
CID 135039747
ethyl (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
methyl (E)-3-[(3S,5R)-5-ethenyl-2-oxopyrrolidin-3-yl]prop-2-enoate
CID 178341408
methyl (E)-3-[(2R,4S)-4-ethenyl-5-oxopyrrolidin-2-yl]prop-2-enoate
CID 178341410
Ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
ethyl (E,4S)-4-methyl-5-[(3R)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 60138356
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
5-Ethoxycarbonyl-2-methylhexa-2,5-dienoic acid;pyrrolidin-2-one
CID 67654802
methyl (E)-3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767701
Methyl 3-(2-oxopyrrolidin-3-yl)prop-2-enoate
CID 68767704
ethyl 5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
CID 69591143
Prop-2-enyl 3-pyrrolidin-3-ylprop-2-enoate
CID 70598513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate (CID 70138530) is ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate is CCOC(=O)C(C)=CC1CCNC1=O.
What is the InChIKey of ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
The InChIKey is LSINSPRDAAXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-14-10(13)7(2)6-8-4-5-11-9(8)12/h6,8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate?
ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(2-oxopyrrolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 70138530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).