methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate

C10H15NO3 — CID 168693022

IUPACmethyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
SMILESC=C(C)CN1CC(C(=O)OC)CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-11-6-8(4-9(11)12)10(13)14-3/h8H,1,4-6H2,2-3H3
InChIKeyXLOIKLZEVDLZKP-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.58
Rot. Bonds3

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

methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168693022) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168693022
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
SMILESC=C(C)CN1CC(C(=O)OC)CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-11-6-8(4-9(11)12)10(13)14-3/h8H,1,4-6H2,2-3H3
InChIKeyXLOIKLZEVDLZKP-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
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

methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 5-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxylate
CID 168694070
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968
methyl 1-(6-aminohexyl)-5-oxopyrrolidine-3-carboxylate
CID 168694101
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
methyl 1-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693454
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691
3-hydroxy-4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 168692793
methyl 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 42881896
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78860962

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate (CID 168693022) is methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate is C=C(C)CN1CC(C(=O)OC)CC1=O.
What is the InChIKey of methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is XLOIKLZEVDLZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)5-11-6-8(4-9(11)12)10(13)14-3/h8H,1,4-6H2,2-3H3.
What are the key properties of methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168693022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).