4-tert-butyl-4-ethylpyrrolidin-2-one;ethane

C12H25NO — CID 153377409

IUPAC4-tert-butyl-4-ethylpyrrolidin-2-one;ethane
SMILESCC.CCC1(C(C)(C)C)CNC(=O)C1
InChIInChI=1S/C10H19NO.C2H6/c1-5-10(9(2,3)4)6-8(12)11-7-10;1-2/h5-7H2,1-4H3,(H,11,12);1-2H3
InChIKeyMKXXYRDEZZRGAN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds1

About 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane

4-tert-butyl-4-ethylpyrrolidin-2-one;ethane (PubChem CID 153377409) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name4-tert-butyl-4-ethylpyrrolidin-2-one;ethane
PubChem CID153377409
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-tert-butyl-4-ethylpyrrolidin-2-one;ethane
SMILESCC.CCC1(C(C)(C)C)CNC(=O)C1
InChIInChI=1S/C10H19NO.C2H6/c1-5-10(9(2,3)4)6-8(12)11-7-10;1-2/h5-7H2,1-4H3,(H,11,12);1-2H3
InChIKeyMKXXYRDEZZRGAN-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-4-methylpyrrolidin-2-one
CID 18784903
4-tert-butyl-4-ethylcyclohexan-1-one
CID 89045760
4-methyl-4-propylpyrrolidin-2-one
CID 66106736
4-ethyl-4-phenylpyrrolidin-2-one
CID 66107809
(1S,5R)-3-ethylspiro[bicyclo[3.2.0]hept-2-ene-7,4'-pyrrolidine]-2'-one
CID 175675558
3-tert-butyl-3-ethylpiperidine
CID 89426414
6-azaspiro[2.5]octan-7-one;ethane
CID 144760089
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
7,9-dimethyl-2-azaspiro[4.5]decan-3-one
CID 66109117
(6S)-6-ethyl-6-methylmorpholin-3-one
CID 162867186
4-(4-tert-butylphenyl)-4-methylpyrrolidin-2-one
CID 66106076
4-cyclohexyl-4-methylpyrrolidin-2-one
CID 66108681

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane?
The IUPAC name of 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane (CID 153377409) is 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane.
What is the SMILES notation for 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane?
The canonical SMILES for 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane is CC.CCC1(C(C)(C)C)CNC(=O)C1.
What is the InChIKey of 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane?
The InChIKey is MKXXYRDEZZRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-5-10(9(2,3)4)6-8(12)11-7-10;1-2/h5-7H2,1-4H3,(H,11,12);1-2H3.
What are the key properties of 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane?
4-tert-butyl-4-ethylpyrrolidin-2-one;ethane has a molecular weight of 199.34 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-ethylpyrrolidin-2-one;ethane is sourced from PubChem (CID 153377409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).