5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one

C11H16N2O — CID 58015506

IUPAC5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)N1CCC2=C(CC=N2)C1=O
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h6H,4-5,7H2,1-3H3
InChIKeyIEYBJNXZRKJTCS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.75
Rot. Bonds

About 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one

5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 58015506) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID58015506
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)N1CCC2=C(CC=N2)C1=O
InChIInChI=1S/C11H16N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h6H,4-5,7H2,1-3H3
InChIKeyIEYBJNXZRKJTCS-UHFFFAOYSA-N
XLogP1.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23591920
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2-tert-butyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 90292174
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
3,6-dihydropyrrolo[3,2-b]pyrrole
CID 122502596
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CID 76708938
7-tert-butyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-amine
CID 146615715
1-tert-butyl-1,3-azaphosphetidin-2-one
CID 58980621
1-(2-methylbutan-2-yl)-1,3-diazinane-2,4-dione
CID 79778176
10-tert-butyl-2,5,10-triazabicyclo[6.3.0]undeca-1(8),2,3,5,6-pentaen-9-one
CID 167227232
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CID 157463977

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one (CID 58015506) is 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one is CC(C)(C)N1CCC2=C(CC=N2)C1=O.
What is the InChIKey of 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IEYBJNXZRKJTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h6H,4-5,7H2,1-3H3.
What are the key properties of 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one?
5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7-dihydro-3H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 58015506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).