6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

C15H20N2 — CID 70980497

IUPAC6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(C3=CCCCC3)ncc21
InChIInChI=1S/C15H20N2/c1-15(2)10-17-14-8-13(16-9-12(14)15)11-6-4-3-5-7-11/h6,8-9,17H,3-5,7,10H2,1-2H3
InChIKeyARINZJGOTYVWAR-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.74
Rot. Bonds1

About 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine

6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (PubChem CID 70980497) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
PubChem CID70980497
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNc2cc(C3=CCCCC3)ncc21
InChIInChI=1S/C15H20N2/c1-15(2)10-17-14-8-13(16-9-12(14)15)11-6-4-3-5-7-11/h6,8-9,17H,3-5,7,10H2,1-2H3
InChIKeyARINZJGOTYVWAR-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine (CID 70980497) is 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is CC1(C)CNc2cc(C3=CCCCC3)ncc21.
What is the InChIKey of 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is ARINZJGOTYVWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2)10-17-14-8-13(16-9-12(14)15)11-6-4-3-5-7-11/h6,8-9,17H,3-5,7,10H2,1-2H3.
What are the key properties of 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine?
6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 228.34 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 70980497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).