2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one

C11H17NO — CID 101490863

IUPAC2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one
SMILESCC(C)(C)N1CC2=C(CCC2)C1=O
InChIInChI=1S/C11H17NO/c1-11(2,3)12-7-8-5-4-6-9(8)10(12)13/h4-7H2,1-3H3
InChIKeyUBVJHAZVHHNZRD-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.11
Rot. Bonds

About 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one

2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one (PubChem CID 101490863) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one.

Molecular Properties

Compound Name2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one
PubChem CID101490863
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one
SMILESCC(C)(C)N1CC2=C(CCC2)C1=O
InChIInChI=1S/C11H17NO/c1-11(2,3)12-7-8-5-4-6-9(8)10(12)13/h4-7H2,1-3H3
InChIKeyUBVJHAZVHHNZRD-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentyl-4,5,6,7-tetrahydro-3H-isoindol-1-one
CID 70433268
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
(3R)-3-amino-1-tert-butylazetidin-2-one
CID 175542547
2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene
CID 170053717
2-tert-butyl-5,6-dihydroxy-3H-isoindol-1-one
CID 118460130
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-tert-butyl-4-ethyl-3-hydroxy-2H-pyrrol-5-one
CID 139219095
1,3-ditert-butyl-4-propan-2-yl-2H-pyrrol-5-one
CID 164786431
5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one
CID 58015506
5-amino-2-tert-butyl-3H-isoindol-1-one
CID 130019061
2-bromo-5-tert-butyl-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
CID 133056961
methyl 3-oxo-2-(3-oxo-4,5,6,7-tetrahydro-1H-isoindole-2-carbonyl)butanoate
CID 87923930

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one?
The IUPAC name of 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one (CID 101490863) is 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one.
What is the SMILES notation for 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one?
The canonical SMILES for 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one is CC(C)(C)N1CC2=C(CCC2)C1=O.
What is the InChIKey of 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one?
The InChIKey is UBVJHAZVHHNZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)12-7-8-5-4-6-9(8)10(12)13/h4-7H2,1-3H3.
What are the key properties of 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one?
2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one has a molecular weight of 179.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,4,5,6-tetrahydrocyclopenta[c]pyrrol-3-one is sourced from PubChem (CID 101490863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).