4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one

C14H27NO — CID 59067705

IUPAC4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)(C)C)C(C(C)C)C1=O
InChIInChI=1S/C14H27NO/c1-7-8-15-9-11(14(4,5)6)12(10(2)3)13(15)16/h10-12H,7-9H2,1-6H3
InChIKeyJURLEEZJUKDDSX-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.17
Rot. Bonds3

About 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one

4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one (PubChem CID 59067705) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one
PubChem CID59067705
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(C)(C)C)C(C(C)C)C1=O
InChIInChI=1S/C14H27NO/c1-7-8-15-9-11(14(4,5)6)12(10(2)3)13(15)16/h10-12H,7-9H2,1-6H3
InChIKeyJURLEEZJUKDDSX-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethyl-3-isopropylpyrrolidin-2-one
CID 10606999
4-tert-Butylpyrrolidin-2-one
CID 20792996
Valproyl-2-pyrrolidinone
CID 129151
1-(2-Ethylhexyl)pyrrolidin-2-one
CID 15350951
2-Methyl-2-azaspiro[4.4]nonan-1-one
CID 12509311
1,3,4,5-Tetramethylpyrrolidin-2-one
CID 14767583
Diethyl-2-pyrrolidinone
CID 58939186
N-(2-ethyl)hexylbutyrolactam
CID 67293747
1-Tert-butyl-4-ethylpyrrolidin-2-one
CID 85681495
1-Tert-butyl-4-propan-2-ylpyrrolidin-2-one
CID 85681497
(4R)-4-ethyl-1-methylpyrrolidin-2-one
CID 93499522
N,N,2,2-Tetraethyl-3-methylbutyramide
CID 3016602

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one (CID 59067705) is 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one is CCCN1CC(C(C)(C)C)C(C(C)C)C1=O.
What is the InChIKey of 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one?
The InChIKey is JURLEEZJUKDDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-8-15-9-11(14(4,5)6)12(10(2)3)13(15)16/h10-12H,7-9H2,1-6H3.
What are the key properties of 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one?
4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-propan-2-yl-1-propylpyrrolidin-2-one is sourced from PubChem (CID 59067705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).