4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one

C13H12N2O — CID 59223668

IUPAC4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C13H12N2O/c16-10-5-3-9(4-6-10)11-8-15-12-2-1-7-14-13(11)12/h1-3,7-8,15H,4-6H2
InChIKeyFAFBRACIHVZACE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.70
Rot. Bonds1

About 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one

4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one (PubChem CID 59223668) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one
PubChem CID59223668
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one
SMILESO=C1CC=C(c2c[nH]c3cccnc23)CC1
InChIInChI=1S/C13H12N2O/c16-10-5-3-9(4-6-10)11-8-15-12-2-1-7-14-13(11)12/h1-3,7-8,15H,4-6H2
InChIKeyFAFBRACIHVZACE-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594
[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid
CID 68553483
[1-methyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-yl] carbamate
CID 68734294
[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl] carbamate
CID 68733623
(2-bromophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110477024
tert-butyl-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-yl]carbamic acid
CID 68551343
4-(8-fluoroquinolin-4-yl)cyclohex-3-en-1-one
CID 134382066
(3,4-dichlorophenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 84580641
2-(4-chlorophenyl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 110477025
3-piperidin-1-yl-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112534996
3-pyridin-2-yl-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 112535103
2-(4-methylphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 84581753

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one?
The IUPAC name of 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one (CID 59223668) is 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one.
What is the SMILES notation for 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one?
The canonical SMILES for 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one is O=C1CC=C(c2c[nH]c3cccnc23)CC1.
What is the InChIKey of 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one?
The InChIKey is FAFBRACIHVZACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-10-5-3-9(4-6-10)11-8-15-12-2-1-7-14-13(11)12/h1-3,7-8,15H,4-6H2.
What are the key properties of 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one?
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohex-3-en-1-one is sourced from PubChem (CID 59223668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).