3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one

C20H34N2O — CID 3012260

IUPAC3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one
SMILESCCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O
InChIInChI=1S/C20H34N2O/c1-3-21(4-2)7-8-22-6-5-18(20(22)23)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-19H,3-13H2,1-2H3
InChIKeyFHEFKUSEFHZPGQ-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.25
Rot. Bonds6

About 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one

3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one (PubChem CID 3012260) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one
PubChem CID3012260
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC Name3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one
SMILESCCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O
InChIInChI=1S/C20H34N2O/c1-3-21(4-2)7-8-22-6-5-18(20(22)23)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-19H,3-13H2,1-2H3
InChIKeyFHEFKUSEFHZPGQ-UHFFFAOYSA-N
XLogP3.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one (CID 3012260) is 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one is CCN(CC)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O.
What is the InChIKey of 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is FHEFKUSEFHZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c1-3-21(4-2)7-8-22-6-5-18(20(22)23)19-16-10-14-9-15(12-16)13-17(19)11-14/h14-19H,3-13H2,1-2H3.
What are the key properties of 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one?
3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 318.51 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-adamantyl)-1-[2-(diethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3012260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).