methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate

C13H16N2O3 — CID 11253668

IUPACmethyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C1(C)CCNC1=O
InChIInChI=1S/C13H16N2O3/c1-13(7-8-14-11(13)16)9-5-3-4-6-10(9)15-12(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCWTRUCAELURZTP-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.64
Rot. Bonds2

About methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate

methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate (PubChem CID 11253668) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate
PubChem CID11253668
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C1(C)CCNC1=O
InChIInChI=1S/C13H16N2O3/c1-13(7-8-14-11(13)16)9-5-3-4-6-10(9)15-12(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCWTRUCAELURZTP-UHFFFAOYSA-N
XLogP1.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3,3-diethyl-2,3-dihydro-1H-indol-2-one
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Methyl 2-(1'-hexyl-2-oxospiro[indole-3,4'-piperidine]-1-yl)acetate
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1'-[(1R)-3-(methylamino)-1-phenylpropyl]spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
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CID 10932530

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate (CID 11253668) is methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate is COC(=O)Nc1ccccc1C1(C)CCNC1=O.
What is the InChIKey of methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate?
The InChIKey is CWTRUCAELURZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(7-8-14-11(13)16)9-5-3-4-6-10(9)15-12(17)18-2/h3-6H,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate?
methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-methyl-2-oxopyrrolidin-3-yl)phenyl]carbamate is sourced from PubChem (CID 11253668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).