1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

C12H13NO — CID 67984129

IUPAC1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCC1OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13NO/c1-8-12-10(6-7-14-8)9-4-2-3-5-11(9)13-12/h2-5,8,13H,6-7H2,1H3
InChIKeyDGLOKROTZJLWTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.80
Rot. Bonds

About 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 67984129) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID67984129
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCC1OCCc2c1[nH]c1ccccc21
InChIInChI=1S/C12H13NO/c1-8-12-10(6-7-14-8)9-4-2-3-5-11(9)13-12/h2-5,8,13H,6-7H2,1H3
InChIKeyDGLOKROTZJLWTR-UHFFFAOYSA-N
XLogP2.80
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 67984129) is 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is CC1OCCc2c1[nH]c1ccccc21.
What is the InChIKey of 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is DGLOKROTZJLWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8-12-10(6-7-14-8)9-4-2-3-5-11(9)13-12/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 187.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 67984129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).