2,3,4,4a-tetrahydropyrano[2,3-b]indole

C11H11NO — CID 154701154

IUPAC2,3,4,4a-tetrahydropyrano[2,3-b]indole
SMILESc1ccc2c(c1)N=C1OCCCC12
InChIInChI=1S/C11H11NO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10/h1-2,4,6,9H,3,5,7H2
InChIKeyVFYKCIARQJZNGJ-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.62
Rot. Bonds

About 2,3,4,4a-tetrahydropyrano[2,3-b]indole

2,3,4,4a-tetrahydropyrano[2,3-b]indole (PubChem CID 154701154) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,3,4,4a-tetrahydropyrano[2,3-b]indole.

Molecular Properties

Compound Name2,3,4,4a-tetrahydropyrano[2,3-b]indole
PubChem CID154701154
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2,3,4,4a-tetrahydropyrano[2,3-b]indole
SMILESc1ccc2c(c1)N=C1OCCCC12
InChIInChI=1S/C11H11NO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10/h1-2,4,6,9H,3,5,7H2
InChIKeyVFYKCIARQJZNGJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a-tetrahydropyrano[2,3-b]indole?
The IUPAC name of 2,3,4,4a-tetrahydropyrano[2,3-b]indole (CID 154701154) is 2,3,4,4a-tetrahydropyrano[2,3-b]indole.
What is the SMILES notation for 2,3,4,4a-tetrahydropyrano[2,3-b]indole?
The canonical SMILES for 2,3,4,4a-tetrahydropyrano[2,3-b]indole is c1ccc2c(c1)N=C1OCCCC12.
What is the InChIKey of 2,3,4,4a-tetrahydropyrano[2,3-b]indole?
The InChIKey is VFYKCIARQJZNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-6-10-8(4-1)9-5-3-7-13-11(9)12-10/h1-2,4,6,9H,3,5,7H2.
What are the key properties of 2,3,4,4a-tetrahydropyrano[2,3-b]indole?
2,3,4,4a-tetrahydropyrano[2,3-b]indole has a molecular weight of 173.22 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a-tetrahydropyrano[2,3-b]indole is sourced from PubChem (CID 154701154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).