N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide

C15H22N2O2 — CID 71789092

IUPACN-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C1CC(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)
InChIKeyAJKZAFHQPDKICF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.21
Rot. Bonds2

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

N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide (PubChem CID 71789092) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
PubChem CID71789092
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide
SMILESO=C1CC(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)
InChIKeyAJKZAFHQPDKICF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide (CID 71789092) is N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide is O=C1CC(NC(=O)C23CC4CC(CC(C4)C2)C3)CN1.
What is the InChIKey of N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
The InChIKey is AJKZAFHQPDKICF-UHFFFAOYSA-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).
What are the key properties of N-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide?
N-(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-(5-oxopyrrolidin-3-yl)adamantane-1-carboxamide is sourced from PubChem (CID 71789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).