8,9a-dihydropyrano[3,2-f]indole

C11H9NO — CID 56619686

IUPAC8,9a-dihydropyrano[3,2-f]indole
SMILESC1=COC2C=c3[nH]ccc3=CC2=C1
InChIInChI=1S/C11H9NO/c1-2-9-6-8-3-4-12-10(8)7-11(9)13-5-1/h1-7,11-12H
InChIKeySKBZZYHFLMURKF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.43
Rot. Bonds

About 8,9a-dihydropyrano[3,2-f]indole

8,9a-dihydropyrano[3,2-f]indole (PubChem CID 56619686) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 8,9a-dihydropyrano[3,2-f]indole.

Molecular Properties

Compound Name8,9a-dihydropyrano[3,2-f]indole
PubChem CID56619686
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name8,9a-dihydropyrano[3,2-f]indole
SMILESC1=COC2C=c3[nH]ccc3=CC2=C1
InChIInChI=1S/C11H9NO/c1-2-9-6-8-3-4-12-10(8)7-11(9)13-5-1/h1-7,11-12H
InChIKeySKBZZYHFLMURKF-UHFFFAOYSA-N
XLogP0.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,9a-dihydropyrano[3,2-f]indole?
The IUPAC name of 8,9a-dihydropyrano[3,2-f]indole (CID 56619686) is 8,9a-dihydropyrano[3,2-f]indole.
What is the SMILES notation for 8,9a-dihydropyrano[3,2-f]indole?
The canonical SMILES for 8,9a-dihydropyrano[3,2-f]indole is C1=COC2C=c3[nH]ccc3=CC2=C1.
What is the InChIKey of 8,9a-dihydropyrano[3,2-f]indole?
The InChIKey is SKBZZYHFLMURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-9-6-8-3-4-12-10(8)7-11(9)13-5-1/h1-7,11-12H.
What are the key properties of 8,9a-dihydropyrano[3,2-f]indole?
8,9a-dihydropyrano[3,2-f]indole has a molecular weight of 171.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9a-dihydropyrano[3,2-f]indole is sourced from PubChem (CID 56619686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).