N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide

C15H22N2O2 — CID 95984977

IUPACN-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CN1
InChIInChI=1S/C15H22N2O2/c18-13-4-12(8-16-13)17-14(19)15-5-9-1-10(6-15)3-11(2-9)7-15/h9-12H,1-8H2,(H,16,18)(H,17,19)/t9?,10?,11?,12-,15?/m0/s1
InChIKeyAJKZAFHQPDKICF-ONTFQQAWSA-N
MW262.35 g/mol
LogP1.21
Rot. Bonds2

About N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide

N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide (PubChem CID 95984977) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide
PubChem CID95984977
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide
SMILESO=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CN1
InChIInChI=1S/C15H22N2O2/c18-13-4-12(8-16-13)17-14(19)15-5-9-1-10(6-15)3-11(2-9)7-15/h9-12H,1-8H2,(H,16,18)(H,17,19)/t9?,10?,11?,12-,15?/m0/s1
InChIKeyAJKZAFHQPDKICF-ONTFQQAWSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
N-[3-(adamantane-1-carbonylamino)-5-fluorocyclohexyl]adamantane-1-carboxamide
CID 171722471
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
N-[(1R,3R)-3-methylcyclohexyl]adamantane-1-carboxamide
CID 94043121
N-(5-oxopyrrolidin-3-yl)-2-propylpyrrolidine-2-carboxamide
CID 106187805
1-methyl-3-(5-oxopyrrolidin-3-yl)thiourea
CID 106186247
N-[(3R)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 95985002
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114156975

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide?
The IUPAC name of N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide (CID 95984977) is N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide is O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CN1.
What is the InChIKey of N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide?
The InChIKey is AJKZAFHQPDKICF-ONTFQQAWSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-13-4-12(8-16-13)17-14(19)15-5-9-1-10(6-15)3-11(2-9)7-15/h9-12H,1-8H2,(H,16,18)(H,17,19)/t9?,10?,11?,12-,15?/m0/s1.
What are the key properties of N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide?
N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-oxopyrrolidin-3-yl]adamantane-1-carboxamide is sourced from PubChem (CID 95984977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).