4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one

C12H22N2O — CID 106184016

IUPAC4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one
SMILESCC1CC(C)(C)CC1NC1CNC(=O)C1
InChIInChI=1S/C12H22N2O/c1-8-5-12(2,3)6-10(8)14-9-4-11(15)13-7-9/h8-10,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyXRPGYMSWADQCHE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds2

About 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one

4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one (PubChem CID 106184016) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one
PubChem CID106184016
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one
SMILESCC1CC(C)(C)CC1NC1CNC(=O)C1
InChIInChI=1S/C12H22N2O/c1-8-5-12(2,3)6-10(8)14-9-4-11(15)13-7-9/h8-10,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyXRPGYMSWADQCHE-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one (CID 106184016) is 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one is CC1CC(C)(C)CC1NC1CNC(=O)C1.
What is the InChIKey of 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one?
The InChIKey is XRPGYMSWADQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-5-12(2,3)6-10(8)14-9-4-11(15)13-7-9/h8-10,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one?
4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one has a molecular weight of 210.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,4-trimethylcyclopentyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 106184016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).