methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate

C17H18ClNO3 — CID 155254772

IUPACmethyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(N3CC(c4ccc(Cl)cc4)CC3=O)(C1)C2
InChIInChI=1S/C17H18ClNO3/c1-22-15(21)16-8-17(9-16,10-16)19-7-12(6-14(19)20)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyIUEQIUXXSUNDML-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.75
Rot. Bonds3

About methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate

methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate (PubChem CID 155254772) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate
PubChem CID155254772
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Namemethyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate
SMILESCOC(=O)C12CC(N3CC(c4ccc(Cl)cc4)CC3=O)(C1)C2
InChIInChI=1S/C17H18ClNO3/c1-22-15(21)16-8-17(9-16,10-16)19-7-12(6-14(19)20)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyIUEQIUXXSUNDML-UHFFFAOYSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate with MolForge

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Related Compounds

4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
(4S)-N-(4-chlorophenyl)-2-oxo-4-phenylpyrrolidine-1-carboxamide
CID 6542346
methyl 4-(4-chlorophenyl)-1-(2-oxoethyl)cyclohexane-1-carboxylate
CID 86614867
dimethyl (1R,2R,4S,5S)-2,4-bis(4-chlorophenyl)-3,7-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate
CID 10436190
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
CID 68807567
methyl 2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-chlorobenzoate
CID 168659485
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
3-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)azetidine-1-carboxamide
CID 20744171

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The IUPAC name of methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate (CID 155254772) is methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate.
What is the SMILES notation for methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The canonical SMILES for methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate is COC(=O)C12CC(N3CC(c4ccc(Cl)cc4)CC3=O)(C1)C2.
What is the InChIKey of methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate?
The InChIKey is IUEQIUXXSUNDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-22-15(21)16-8-17(9-16,10-16)19-7-12(6-14(19)20)11-2-4-13(18)5-3-11/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate?
methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate has a molecular weight of 319.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-chlorophenyl)-2-oxopyrrolidin-1-yl]bicyclo[1.1.1]pentane-1-carboxylate is sourced from PubChem (CID 155254772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).