1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine

C13H18N2 — CID 90790268

IUPAC1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCCC1CC=c2ccn(C3CCC3)c2=N1
InChIInChI=1S/C13H18N2/c1-2-11-7-6-10-8-9-15(13(10)14-11)12-4-3-5-12/h6,8-9,11-12H,2-5,7H2,1H3
InChIKeyACZXADBGNPMTRR-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.80
Rot. Bonds2

About 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine

1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine (PubChem CID 90790268) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine
PubChem CID90790268
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine
SMILESCCC1CC=c2ccn(C3CCC3)c2=N1
InChIInChI=1S/C13H18N2/c1-2-11-7-6-10-8-9-15(13(10)14-11)12-4-3-5-12/h6,8-9,11-12H,2-5,7H2,1H3
InChIKeyACZXADBGNPMTRR-UHFFFAOYSA-N
XLogP1.80
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine
CID 68928158
2-Cyclohexa-1,3-dien-1-yl-3-methyl-3a,4,5,7a-tetrahydrobenzimidazole
CID 71018230
2-(5,6-dihydropyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine
CID 89382550
1-cyclobutyl-6-ethyl-7-methyl-5H-pyrrolo[2,3-b]azepine
CID 90856754
8-Ethyl-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 118189848
6-Pentan-3-yl-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene
CID 123765816
2-Methyl-8-prop-1-enyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 123905290
5-[(1Z)-buta-1,3-dienyl]-2-ethyl-8-[(1E,3Z)-hexa-1,3-dienyl]-2,3,5,6-tetrahydroimidazo[1,2-a]pyridine
CID 124112772
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797
1,7-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-b]azepine;ethane
CID 141789634
(3Z)-1-cyclopentyl-5-ethenyl-N-ethyl-4-methyl-6-methylidene-3-[(methylideneamino)methylidene]pyridin-2-imine;ethane
CID 142371881
ethane;3-methylidene-N-[(Z)-prop-1-enyl]-1,5-dipropylpyrrol-2-imine
CID 144801076

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine (CID 90790268) is 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine is CCC1CC=c2ccn(C3CCC3)c2=N1.
What is the InChIKey of 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is ACZXADBGNPMTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11-7-6-10-8-9-15(13(10)14-11)12-4-3-5-12/h6,8-9,11-12H,2-5,7H2,1H3.
What are the key properties of 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine?
1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-6-ethyl-5,6-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90790268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).