benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate

C16H19NO3 — CID 59439531

IUPACbenzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)=C[C@H]1CC(=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H19NO3/c1-12(2)8-14-9-15(18)17(10-14)16(19)20-11-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZFVKSHZVJSGDSA-AWEZNQCLSA-N
MW273.33 g/mol
LogP3.14
Rot. Bonds3

About benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate

benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 59439531) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID59439531
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namebenzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)=C[C@H]1CC(=O)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H19NO3/c1-12(2)8-14-9-15(18)17(10-14)16(19)20-11-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1
InChIKeyZFVKSHZVJSGDSA-AWEZNQCLSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.14
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

benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591
benzyl 3-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54108508
3-(1-phenylmethoxycarbonyl-3,4-dihydro-2H-quinolin-3-yl)prop-2-enoic acid
CID 77325549
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl 2,4-dioxopyrrolidine-1-carboxylate
CID 10847223
benzyl (3S,4R)-3-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 89090444
benzyl (3S,4R)-3-ethenyl-4-hydroxypyrrolidine-1-carboxylate
CID 58473027
benzyl 3-[(E)-pent-1-enyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 67625561
benzyl (5S)-5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxopiperidine-1-carboxylate
CID 102030569
benzyl (5R)-5-(2-methylpropyl)-3-oxo-1,2-oxazolidine-2-carboxylate
CID 11208179

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate (CID 59439531) is benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate is CC(C)=C[C@H]1CC(=O)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is ZFVKSHZVJSGDSA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(2)8-14-9-15(18)17(10-14)16(19)20-11-13-6-4-3-5-7-13/h3-8,14H,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate?
benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-(2-methylprop-1-enyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 59439531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).