benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate

C13H16N2O3 — CID 142686374

IUPACbenzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
SMILESCC1CCN(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-10-7-8-15(12(10)16)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)
InChIKeyYKQZTQGTVDUPRG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.70
Rot. Bonds3

About benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate

benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate (PubChem CID 142686374) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
PubChem CID142686374
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate
SMILESCC1CCN(NC(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O3/c1-10-7-8-15(12(10)16)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17)
InChIKeyYKQZTQGTVDUPRG-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3,3-dimethoxy-4-methylpyrrolidin-1-yl)carbamate
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(2R)-1-(phenylmethoxycarbonylamino)pyrrolidine-2-carboxylic acid
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benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl N-[(3S)-1-amino-2-oxoazetidin-3-yl]carbamate
CID 13132707
methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
CID 70468234
benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl (3S)-1-amino-2-oxopyrrolidine-3-carboxylate
CID 71431336
benzyl N-(1-cyano-2-methyl-3-oxodiazinan-4-yl)carbamate
CID 78099211
benzyl N-[4-[(4-oxocyclohexyl)methyl]piperazin-1-yl]carbamate
CID 178015531

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate?
The IUPAC name of benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate (CID 142686374) is benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate.
What is the SMILES notation for benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate?
The canonical SMILES for benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate is CC1CCN(NC(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate?
The InChIKey is YKQZTQGTVDUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10-7-8-15(12(10)16)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,14,17).
What are the key properties of benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate?
benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-methyl-2-oxopyrrolidin-1-yl)carbamate is sourced from PubChem (CID 142686374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).