2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

C14H20N2 — CID 123325971

IUPAC2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCC1=CC=CCC1C1CC2CNCCC2=N1
InChIInChI=1S/C14H20N2/c1-10-4-2-3-5-12(10)14-8-11-9-15-7-6-13(11)16-14/h2-4,11-12,14-15H,5-9H2,1H3
InChIKeyADMXAOZGLMWUFF-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.33
Rot. Bonds1

About 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine

2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (PubChem CID 123325971) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
PubChem CID123325971
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine
SMILESCC1=CC=CCC1C1CC2CNCCC2=N1
InChIInChI=1S/C14H20N2/c1-10-4-2-3-5-12(10)14-8-11-9-15-7-6-13(11)16-14/h2-4,11-12,14-15H,5-9H2,1H3
InChIKeyADMXAOZGLMWUFF-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine (CID 123325971) is 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is CC1=CC=CCC1C1CC2CNCCC2=N1.
What is the InChIKey of 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is ADMXAOZGLMWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10-4-2-3-5-12(10)14-8-11-9-15-7-6-13(11)16-14/h2-4,11-12,14-15H,5-9H2,1H3.
What are the key properties of 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine?
2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine has a molecular weight of 216.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexa-2,4-dien-1-yl)-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123325971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).