methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate

C17H22N2O3 — CID 123788721

IUPACmethyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)18-15(16(20)19-8-4-5-9-19)14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,18,21)
InChIKeySYGFBISSWUYOQR-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.75
Rot. Bonds3

About methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate

methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate (PubChem CID 123788721) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
PubChem CID123788721
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namemethyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H22N2O3/c1-22-17(21)18-15(16(20)19-8-4-5-9-19)14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,18,21)
InChIKeySYGFBISSWUYOQR-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
methyl N-[(1S)-1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate
CID 129192718
tert-butyl N-[2-[(2S)-2-acetylpyrrolidin-1-yl]-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]carbamate
CID 163716658
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
methyl (2S)-1-[(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[(4-nitrophenoxy)carbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 70334364
(1R)-1-(2,3-dihydro-1H-inden-2-yl)-1-(methylamino)propan-2-one
CID 59814447
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
N-[1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 46020232
methyl 1-(2,3-dihydro-1H-indene-2-carbonyl)piperidine-3-carboxylate
CID 112531649
methyl 2-cyclopropyl-2-(2,3-dihydro-1H-inden-2-ylamino)acetate
CID 104693831
phenyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
CID 115596760

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The IUPAC name of methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate (CID 123788721) is methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate.
What is the SMILES notation for methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The canonical SMILES for methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate is COC(=O)NC(C(=O)N1CCCC1)C1Cc2ccccc2C1.
What is the InChIKey of methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
The InChIKey is SYGFBISSWUYOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-17(21)18-15(16(20)19-8-4-5-9-19)14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14-15H,4-5,8-11H2,1H3,(H,18,21).
What are the key properties of methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate?
methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate has a molecular weight of 302.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate is sourced from PubChem (CID 123788721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).