1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one

C16H25NO — CID 4912750

IUPAC1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c18-15-2-1-4-17(15)5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
InChIKeyJYJXTPGONVMPHK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.22
Rot. Bonds3

About 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one

1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one (PubChem CID 4912750) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one
PubChem CID4912750
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO/c18-15-2-1-4-17(15)5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
InChIKeyJYJXTPGONVMPHK-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one (CID 4912750) is 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one is O=C1CCCN1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one?
The InChIKey is JYJXTPGONVMPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-15-2-1-4-17(15)5-3-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2.
What are the key properties of 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one?
1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one has a molecular weight of 247.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 4912750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).