1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

C15H19NO — CID 102369202

IUPAC1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCCc1ccc2c3c([nH]c2c1)C(CC)OCC3
InChIInChI=1S/C15H19NO/c1-3-10-5-6-11-12-7-8-17-14(4-2)15(12)16-13(11)9-10/h5-6,9,14,16H,3-4,7-8H2,1-2H3
InChIKeyNVXIYIOVKZTXPR-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.75
Rot. Bonds2

About 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 102369202) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID102369202
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCCc1ccc2c3c([nH]c2c1)C(CC)OCC3
InChIInChI=1S/C15H19NO/c1-3-10-5-6-11-12-7-8-17-14(4-2)15(12)16-13(11)9-10/h5-6,9,14,16H,3-4,7-8H2,1-2H3
InChIKeyNVXIYIOVKZTXPR-UHFFFAOYSA-N
XLogP3.75
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 91111001
1,10-diethyl-6-methoxy-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizine
CID 141013903
(6-ethyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)methanamine
CID 82386113
1-(4-chlorophenyl)-2-ethyl-N,N-dimethyl-4-(1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)butan-1-amine
CID 69038198
2-benzyl-1-methyl-7-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 122679538
7-chloro-1-ethyl-3,4-dihydro-1H-isochromene
CID 139354460
N,N-dimethyl-1-(1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-3-thiophen-3-ylpentan-3-amine
CID 69380255
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916
6-ethyl-1,2-dihydroindazol-3-one
CID 70315708
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
CID 134938636
4-(6-ethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzene-1,2-diol;hydrochloride
CID 53306125

Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 102369202) is 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is CCc1ccc2c3c([nH]c2c1)C(CC)OCC3.
What is the InChIKey of 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is NVXIYIOVKZTXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-10-5-6-11-12-7-8-17-14(4-2)15(12)16-13(11)9-10/h5-6,9,14,16H,3-4,7-8H2,1-2H3.
What are the key properties of 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 229.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 102369202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).