4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one

C17H32N2O — CID 104511539

IUPAC4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
SMILESCCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyMYDGFQKEGUGIJK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds5

About 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one

4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one (PubChem CID 104511539) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
PubChem CID104511539
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one
SMILESCCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O
InChIInChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyMYDGFQKEGUGIJK-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one (CID 104511539) is 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one is CCNC1CCCC1CCN1CC(C(C)(C)C)CC1=O.
What is the InChIKey of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
The InChIKey is MYDGFQKEGUGIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-18-15-8-6-7-13(15)9-10-19-12-14(11-16(19)20)17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one?
4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one has a molecular weight of 280.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[2-[2-(ethylamino)cyclopentyl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 104511539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).