1-tert-butylpyrrolidin-2-one;ethane

C10H21NO — CID 143067264

IUPAC1-tert-butylpyrrolidin-2-one;ethane
SMILESCC.CC(C)(C)N1CCCC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-8(2,3)9-6-4-5-7(9)10;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyKQWUMDTVHVURQJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.43
Rot. Bonds

About 1-tert-butylpyrrolidin-2-one;ethane

1-tert-butylpyrrolidin-2-one;ethane (PubChem CID 143067264) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-tert-butylpyrrolidin-2-one;ethane.

Molecular Properties

Compound Name1-tert-butylpyrrolidin-2-one;ethane
PubChem CID143067264
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-tert-butylpyrrolidin-2-one;ethane
SMILESCC.CC(C)(C)N1CCCC1=O
InChIInChI=1S/C8H15NO.C2H6/c1-8(2,3)9-6-4-5-7(9)10;1-2/h4-6H2,1-3H3;1-2H3
InChIKeyKQWUMDTVHVURQJ-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
1-(1,1,2,2-tetrafluoropropyl)pyrrolidin-2-one
CID 122459061
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-(2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 130210872
1-(1,3-dihydroxy-2-methylpropan-2-yl)piperidin-2-one
CID 104550721
6-amino-1-tert-butylazepan-2-one
CID 84659748
1-(1,1-difluoropropyl)pyrrolidin-2-one
CID 174968097
3-hydroxy-2-methyl-2-(2-oxopiperidin-1-yl)propanoic acid
CID 126987137
1-(1-amino-2,4-dimethylpentan-2-yl)pyrrolidin-2-one
CID 115310346
2-cyclopropyl-2-(2-oxoazepan-1-yl)propanoic acid
CID 61344571

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrrolidin-2-one;ethane?
The IUPAC name of 1-tert-butylpyrrolidin-2-one;ethane (CID 143067264) is 1-tert-butylpyrrolidin-2-one;ethane.
What is the SMILES notation for 1-tert-butylpyrrolidin-2-one;ethane?
The canonical SMILES for 1-tert-butylpyrrolidin-2-one;ethane is CC.CC(C)(C)N1CCCC1=O.
What is the InChIKey of 1-tert-butylpyrrolidin-2-one;ethane?
The InChIKey is KQWUMDTVHVURQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-8(2,3)9-6-4-5-7(9)10;1-2/h4-6H2,1-3H3;1-2H3.
What are the key properties of 1-tert-butylpyrrolidin-2-one;ethane?
1-tert-butylpyrrolidin-2-one;ethane has a molecular weight of 171.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrrolidin-2-one;ethane is sourced from PubChem (CID 143067264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).