3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine

C13H17NO — CID 163806481

IUPAC3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine
SMILESCN1CCC2=C(COC3=C2C=CCC3)C1
InChIInChI=1S/C13H17NO/c1-14-7-6-11-10(8-14)9-15-13-5-3-2-4-12(11)13/h2,4H,3,5-9H2,1H3
InChIKeyNJMAQMRAZJDNLH-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.25
Rot. Bonds

About 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine

3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine (PubChem CID 163806481) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine
PubChem CID163806481
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine
SMILESCN1CCC2=C(COC3=C2C=CCC3)C1
InChIInChI=1S/C13H17NO/c1-14-7-6-11-10(8-14)9-15-13-5-3-2-4-12(11)13/h2,4H,3,5-9H2,1H3
InChIKeyNJMAQMRAZJDNLH-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine?
The IUPAC name of 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine (CID 163806481) is 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine?
The canonical SMILES for 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine is CN1CCC2=C(COC3=C2C=CCC3)C1.
What is the InChIKey of 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine?
The InChIKey is NJMAQMRAZJDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14-7-6-11-10(8-14)9-15-13-5-3-2-4-12(11)13/h2,4H,3,5-9H2,1H3.
What are the key properties of 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine?
3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine has a molecular weight of 203.28 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2,4,5,7,8-hexahydrochromeno[3,4-c]pyridine is sourced from PubChem (CID 163806481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).