benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate

C18H18N2O3 — CID 110736817

IUPACbenzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-11-15(12-20(17)16-9-5-2-6-10-16)19-18(22)23-13-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22)
InChIKeyDEAVQMNTCYOMIB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.72
Rot. Bonds4

About benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate

benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate (PubChem CID 110736817) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
PubChem CID110736817
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namebenzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
SMILESO=C(NC1CC(=O)N(c2ccccc2)C1)OCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-11-15(12-20(17)16-9-5-2-6-10-16)19-18(22)23-13-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22)
InChIKeyDEAVQMNTCYOMIB-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]carbamate
CID 124505476
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
1,1-dibenzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969207
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
benzyl N-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]carbamate
CID 154897684
2-(4-fluorophenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254979
1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
benzyl 4-[4-[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]phenyl]sulfinylpiperidine-1-carboxylate
CID 171775356

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate?
The IUPAC name of benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate (CID 110736817) is benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate is O=C(NC1CC(=O)N(c2ccccc2)C1)OCc1ccccc1.
What is the InChIKey of benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate?
The InChIKey is DEAVQMNTCYOMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-11-15(12-20(17)16-9-5-2-6-10-16)19-18(22)23-13-14-7-3-1-4-8-14/h1-10,15H,11-13H2,(H,19,22).
What are the key properties of benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate?
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate has a molecular weight of 310.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 110736817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).