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

C11H11NO — CID 66611208

IUPAC1,3,4,4a-tetrahydropyrano[3,4-b]indole
SMILESc1ccc2c(c1)N=C1COCCC12
InChIInChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10/h1-4,9H,5-7H2
InChIKeySVQCZHOYIDFGAH-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.28
Rot. Bonds

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

1,3,4,4a-tetrahydropyrano[3,4-b]indole (PubChem CID 66611208) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,3,4,4a-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name1,3,4,4a-tetrahydropyrano[3,4-b]indole
PubChem CID66611208
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1,3,4,4a-tetrahydropyrano[3,4-b]indole
SMILESc1ccc2c(c1)N=C1COCCC12
InChIInChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10/h1-4,9H,5-7H2
InChIKeySVQCZHOYIDFGAH-UHFFFAOYSA-N
XLogP2.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.28
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?
The IUPAC name of 1,3,4,4a-tetrahydropyrano[3,4-b]indole (CID 66611208) is 1,3,4,4a-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 1,3,4,4a-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 1,3,4,4a-tetrahydropyrano[3,4-b]indole is c1ccc2c(c1)N=C1COCCC12.
What is the InChIKey of 1,3,4,4a-tetrahydropyrano[3,4-b]indole?
The InChIKey is SVQCZHOYIDFGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-10-8(3-1)9-5-6-13-7-11(9)12-10/h1-4,9H,5-7H2.
What are the key properties of 1,3,4,4a-tetrahydropyrano[3,4-b]indole?
1,3,4,4a-tetrahydropyrano[3,4-b]indole has a molecular weight of 173.22 g/mol, XLogP of 2.28, 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 is sourced from PubChem (CID 66611208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).