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

C13H19NO3 — CID 78860962

IUPAC2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESC=C(C)COC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C13H19NO3/c1-9(2)8-17-13(16)11-5-12(15)14(7-11)6-10-3-4-10/h10-11H,1,3-8H2,2H3
InChIKeyDJORBNXXSZVQCD-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds5

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

2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 78860962) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID78860962
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESC=C(C)COC(=O)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C13H19NO3/c1-9(2)8-17-13(16)11-5-12(15)14(7-11)6-10-3-4-10/h10-11H,1,3-8H2,2H3
InChIKeyDJORBNXXSZVQCD-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
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

cyclohexylmethyl (3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95352331
cyclohexyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 52577395
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
2-(3,5-dimethylpyrazol-1-yl)ethyl (3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 95572890
methyl 5-oxo-1-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-3-carboxylate
CID 168693086
2-methylprop-2-enyl 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 78831303
2-methylprop-2-enyl cyclohexanecarboxylate
CID 18622419
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094068
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 78860962) is 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is C=C(C)COC(=O)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is DJORBNXXSZVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)8-17-13(16)11-5-12(15)14(7-11)6-10-3-4-10/h10-11H,1,3-8H2,2H3.
What are the key properties of 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate?
2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 78860962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).