N-(2-adamantyl)pyrrolidine-1-carboxamide

C15H24N2O — CID 23582238

IUPACN-(2-adamantyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC1
InChIInChI=1S/C15H24N2O/c18-15(17-3-1-2-4-17)16-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,1-9H2,(H,16,18)
InChIKeyCRBXJXAUPUPCEV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.62
Rot. Bonds1

About N-(2-adamantyl)pyrrolidine-1-carboxamide

N-(2-adamantyl)pyrrolidine-1-carboxamide (PubChem CID 23582238) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-adamantyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)pyrrolidine-1-carboxamide
PubChem CID23582238
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-adamantyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)N1CCCC1
InChIInChI=1S/C15H24N2O/c18-15(17-3-1-2-4-17)16-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,1-9H2,(H,16,18)
InChIKeyCRBXJXAUPUPCEV-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-adamantyl)pyrrolidine-1-carboxamide (CID 23582238) is N-(2-adamantyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-adamantyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-adamantyl)pyrrolidine-1-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC1.
What is the InChIKey of N-(2-adamantyl)pyrrolidine-1-carboxamide?
The InChIKey is CRBXJXAUPUPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c18-15(17-3-1-2-4-17)16-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,1-9H2,(H,16,18).
What are the key properties of N-(2-adamantyl)pyrrolidine-1-carboxamide?
N-(2-adamantyl)pyrrolidine-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 23582238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).