methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate

C10H15NO3 — CID 11217830

IUPACmethyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate
SMILESC=CCC[C@@H]1CCC(=O)N1C(=O)OC
InChIInChI=1S/C10H15NO3/c1-3-4-5-8-6-7-9(12)11(8)10(13)14-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXCVAQGXRAGXGPR-MRVPVSSYSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds3

About methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate

methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 11217830) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate
PubChem CID11217830
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate
SMILESC=CCC[C@@H]1CCC(=O)N1C(=O)OC
InChIInChI=1S/C10H15NO3/c1-3-4-5-8-6-7-9(12)11(8)10(13)14-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyXCVAQGXRAGXGPR-MRVPVSSYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]oct-7-en-1-one
CID 14784829
tert-butyl (3R,5S)-3-ethenyl-5-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate
CID 46176901
5-But-3-enyl-1-(diethoxymethyl)pyrrolidin-2-one
CID 102300247
1-(Diethoxymethyl)-5-pent-4-enylpyrrolidin-2-one
CID 102300248
1-(Methoxymethyl)-5-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 135010990
1-Acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
1-Hept-6-enoyl-5-pentylpyrrolidin-2-one
CID 20368618
(5R)-5-(But-3-en-1-yl)-1-(prop-2-en-1-yl)pyrrolidin-2-one
CID 69702815
5-But-3-enyl-1-prop-2-enylpyrrolidin-2-one
CID 69702816
(2R)-2-methyl-1-undec-10-enoylpyrrolidin-1-ium-1-carboxylic acid
CID 91452131
Butyl 2-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 151016635
1-Methyl-5-prop-2-enylpyrrolidin-2-one
CID 11182646

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate (CID 11217830) is methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate is C=CCC[C@@H]1CCC(=O)N1C(=O)OC.
What is the InChIKey of methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is XCVAQGXRAGXGPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-8-6-7-9(12)11(8)10(13)14-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate?
methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-but-3-enyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 11217830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).