2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

C15H29NO — CID 23590702

IUPAC2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)CC(C(=O)N1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-14(2,3)11-12(15(4,5)6)13(17)16-9-7-8-10-16/h12H,7-11H2,1-6H3
InChIKeyIRAUIMOTTFVLIQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.71
Rot. Bonds2

About 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 23590702) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID23590702
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)CC(C(=O)N1CCCC1)C(C)(C)C
InChIInChI=1S/C15H29NO/c1-14(2,3)11-12(15(4,5)6)13(17)16-9-7-8-10-16/h12H,7-11H2,1-6H3
InChIKeyIRAUIMOTTFVLIQ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Valeramide, N,N,2-tripropyl-
CID 201025
Valeramide, N,N-diethyl-2-propyl-
CID 209794
Valproyl-2-pyrrolidinone
CID 129151
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497
4,4-dimethyl-1-[(4S)-4-propan-2-ylazepan-1-yl]pentan-1-one
CID 99809665
5-Methyl-2-(trifluoromethyl)-5-azaspiro[2.4]heptan-4-one
CID 10679320
N,N,2,2-Tetraethyl-3-methylbutyramide
CID 3016602
N,N,3,4,4-pentamethylpentanamide
CID 3780256
(3R)-N,N,3,4,4-pentamethylpentanamide
CID 40530694
2-(fluoromethyl)-N,N,2-tri(propan-2-yl)pentanamide
CID 88580566

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (CID 23590702) is 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is CC(C)(C)CC(C(=O)N1CCCC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is IRAUIMOTTFVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,3)11-12(15(4,5)6)13(17)16-9-7-8-10-16/h12H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 23590702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).