8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

C15H18BrNO — CID 91111001

IUPAC8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCCCCC1OCCc2c1[nH]c1c(Br)cccc21
InChIInChI=1S/C15H18BrNO/c1-2-3-7-13-15-11(8-9-18-13)10-5-4-6-12(16)14(10)17-15/h4-6,13,17H,2-3,7-9H2,1H3
InChIKeyFBLOIAIDAKGACN-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.73
Rot. Bonds3

About 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole

8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (PubChem CID 91111001) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.

Molecular Properties

Compound Name8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
PubChem CID91111001
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
SMILESCCCCC1OCCc2c1[nH]c1c(Br)cccc21
InChIInChI=1S/C15H18BrNO/c1-2-3-7-13-15-11(8-9-18-13)10-5-4-6-12(16)14(10)17-15/h4-6,13,17H,2-3,7-9H2,1H3
InChIKeyFBLOIAIDAKGACN-UHFFFAOYSA-N
XLogP4.73
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-3-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 22381754
8-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-ol
CID 65333059
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
8-bromo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 10467319
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
(1S)-8-fluoro-1-propyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-5-carbonitrile
CID 141078783
N,N-dimethyl-1-(1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)-3-thiophen-3-ylpentan-3-amine
CID 69380255
1,7-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 102369202
2-(8-ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)butanoate
CID 57375133
1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)ethanone
CID 127252975
1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42568678
5,8-dichloro-1-(2-methoxyethyl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
CID 141078769

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The IUPAC name of 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole (CID 91111001) is 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole.
What is the SMILES notation for 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The canonical SMILES for 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is CCCCC1OCCc2c1[nH]c1c(Br)cccc21.
What is the InChIKey of 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
The InChIKey is FBLOIAIDAKGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-2-3-7-13-15-11(8-9-18-13)10-5-4-6-12(16)14(10)17-15/h4-6,13,17H,2-3,7-9H2,1H3.
What are the key properties of 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole?
8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole has a molecular weight of 308.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-butyl-1,3,4,9-tetrahydropyrano[3,4-b]indole is sourced from PubChem (CID 91111001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).