1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride

C11H12ClNO — CID 141092473

IUPAC1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride
SMILESCl.c1ccc2c(c1)N=C1COCCC12
InChIInChI=1S/C11H11NO.ClH/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10;/h1-4,9H,5-7H2;1H
InChIKeyRSSFELYGULSWIQ-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.70
Rot. Bonds

About 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride

1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride (PubChem CID 141092473) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride
PubChem CID141092473
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride
SMILESCl.c1ccc2c(c1)N=C1COCCC12
InChIInChI=1S/C11H11NO.ClH/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10;/h1-4,9H,5-7H2;1H
InChIKeyRSSFELYGULSWIQ-UHFFFAOYSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride?
The IUPAC name of 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride (CID 141092473) is 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride.
What is the SMILES notation for 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride?
The canonical SMILES for 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride is Cl.c1ccc2c(c1)N=C1COCCC12.
What is the InChIKey of 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride?
The InChIKey is RSSFELYGULSWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.ClH/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10;/h1-4,9H,5-7H2;1H.
What are the key properties of 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride?
1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4a-tetrahydropyrano[3,4-b]indole;hydrochloride is sourced from PubChem (CID 141092473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).