7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole

C13H15NO — CID 65335238

IUPAC7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESCc1cc(C)c2c3c([nH]c2c1)CCOC3
InChIInChI=1S/C13H15NO/c1-8-5-9(2)13-10-7-15-4-3-11(10)14-12(13)6-8/h5-6,14H,3-4,7H2,1-2H3
InChIKeyNAJJNTCZQLODIY-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.86
Rot. Bonds

About 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole

7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole (PubChem CID 65335238) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole.

Molecular Properties

Compound Name7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole
PubChem CID65335238
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole
SMILESCc1cc(C)c2c3c([nH]c2c1)CCOC3
InChIInChI=1S/C13H15NO/c1-8-5-9(2)13-10-7-15-4-3-11(10)14-12(13)6-8/h5-6,14H,3-4,7H2,1-2H3
InChIKeyNAJJNTCZQLODIY-UHFFFAOYSA-N
XLogP2.86
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The IUPAC name of 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole (CID 65335238) is 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole.
What is the SMILES notation for 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The canonical SMILES for 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole is Cc1cc(C)c2c3c([nH]c2c1)CCOC3.
What is the InChIKey of 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
The InChIKey is NAJJNTCZQLODIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8-5-9(2)13-10-7-15-4-3-11(10)14-12(13)6-8/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole?
7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole has a molecular weight of 201.27 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-1,3,4,5-tetrahydropyrano[4,3-b]indole is sourced from PubChem (CID 65335238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).