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

C18H30N2O — CID 3012259

IUPAC3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O
InChIInChI=1S/C18H30N2O/c1-19(2)5-6-20-4-3-16(18(20)21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,3-11H2,1-2H3
InChIKeyWHAWKEUXEMPHQH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.47
Rot. Bonds4

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

3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (PubChem CID 3012259) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
PubChem CID3012259
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O
InChIInChI=1S/C18H30N2O/c1-19(2)5-6-20-4-3-16(18(20)21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,3-11H2,1-2H3
InChIKeyWHAWKEUXEMPHQH-UHFFFAOYSA-N
XLogP2.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.47
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-(dimethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (CID 3012259) is 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is CN(C)CCN1CCC(C2C3CC4CC(C3)CC2C4)C1=O.
What is the InChIKey of 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is WHAWKEUXEMPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-19(2)5-6-20-4-3-16(18(20)21)17-14-8-12-7-13(10-14)11-15(17)9-12/h12-17H,3-11H2,1-2H3.
What are the key properties of 3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
3-(2-adamantyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 290.45 g/mol, XLogP of 2.47, 4 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-(dimethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 3012259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).