1,2,3,4-tetrahydropyrano[3,2-e]indole

C11H11NO — CID 141048155

IUPAC1,2,3,4-tetrahydropyrano[3,2-e]indole
SMILESC1=COC2=CCC3=C(CCN3)C2=C1
InChIInChI=1S/C11H11NO/c1-2-9-8-5-6-12-10(8)3-4-11(9)13-7-1/h1-2,4,7,12H,3,5-6H2
InChIKeyHPLRWLKHPSTFFE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.99
Rot. Bonds

About 1,2,3,4-tetrahydropyrano[3,2-e]indole

1,2,3,4-tetrahydropyrano[3,2-e]indole (PubChem CID 141048155) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrano[3,2-e]indole.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrano[3,2-e]indole
PubChem CID141048155
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name1,2,3,4-tetrahydropyrano[3,2-e]indole
SMILESC1=COC2=CCC3=C(CCN3)C2=C1
InChIInChI=1S/C11H11NO/c1-2-9-8-5-6-12-10(8)3-4-11(9)13-7-1/h1-2,4,7,12H,3,5-6H2
InChIKeyHPLRWLKHPSTFFE-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dihydropyrano[3,2-e]indole
CID 54302224
1-(5,6-Dihydrocyclopenta[b]pyran-7-yl)piperazine
CID 57122160
N-(cyclopropylmethyl)-5,6-dihydrocyclopenta[b]pyran-7-amine
CID 68136127
N-tert-butyl-5,6-dihydrocyclopenta[b]pyran-7-amine
CID 68136219
N-propan-2-yl-5,6-dihydrocyclopenta[b]pyran-7-amine
CID 68136604
5,6,7,8-Tetrahydropyrano[3,2-f]indole
CID 87734356
1,2,3,4-Tetrahydropyrano[3,2-e]indol-8-ol
CID 140107730
4,5,6,6b-tetrahydro-3H-oxireno[2,3-e]indole
CID 131863935

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrano[3,2-e]indole?
The IUPAC name of 1,2,3,4-tetrahydropyrano[3,2-e]indole (CID 141048155) is 1,2,3,4-tetrahydropyrano[3,2-e]indole.
What is the SMILES notation for 1,2,3,4-tetrahydropyrano[3,2-e]indole?
The canonical SMILES for 1,2,3,4-tetrahydropyrano[3,2-e]indole is C1=COC2=CCC3=C(CCN3)C2=C1.
What is the InChIKey of 1,2,3,4-tetrahydropyrano[3,2-e]indole?
The InChIKey is HPLRWLKHPSTFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-9-8-5-6-12-10(8)3-4-11(9)13-7-1/h1-2,4,7,12H,3,5-6H2.
What are the key properties of 1,2,3,4-tetrahydropyrano[3,2-e]indole?
1,2,3,4-tetrahydropyrano[3,2-e]indole has a molecular weight of 173.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrano[3,2-e]indole is sourced from PubChem (CID 141048155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).