(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole

C14H14BrNO — CID 177395491

IUPAC(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole
SMILESC/C1=C/COCCc2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C14H14BrNO/c1-9-4-6-17-7-5-13-14(9)11-8-10(15)2-3-12(11)16-13/h2-4,8,16H,5-7H2,1H3/b9-4-
InChIKeyFUGICPLJHODMPY-WTKPLQERSA-N
MW292.18 g/mol
LogP3.91
Rot. Bonds

About (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole

(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole (PubChem CID 177395491) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole.

Molecular Properties

Compound Name(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole
PubChem CID177395491
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole
SMILESC/C1=C/COCCc2[nH]c3ccc(Br)cc3c21
InChIInChI=1S/C14H14BrNO/c1-9-4-6-17-7-5-13-14(9)11-8-10(15)2-3-12(11)16-13/h2-4,8,16H,5-7H2,1H3/b9-4-
InChIKeyFUGICPLJHODMPY-WTKPLQERSA-N
XLogP3.91
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 134501422
7-bromo-3,4-dihydro-1H-cyclopenta[b]indol-2-one
CID 82382896
5-bromo-3-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-1H-indole;hydrochloride
CID 57447472
6-bromo-2,3,4,9-tetrahydro-1H-carbazole;formamide
CID 143085891
6-bromo-3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84743392
(2R)-6-bromo-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
CID 140998240
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
9H-carbazole;3,6-dibromo-9H-carbazole
CID 159453130
6-bromo-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82249314
6-bromo-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 142505549
7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
CID 79933960

Frequently Asked Questions

What is the IUPAC name of (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole?
The IUPAC name of (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole (CID 177395491) is (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole.
What is the SMILES notation for (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole?
The canonical SMILES for (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole is C/C1=C/COCCc2[nH]c3ccc(Br)cc3c21.
What is the InChIKey of (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole?
The InChIKey is FUGICPLJHODMPY-WTKPLQERSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-9-4-6-17-7-5-13-14(9)11-8-10(15)2-3-12(11)16-13/h2-4,8,16H,5-7H2,1H3/b9-4-.
What are the key properties of (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole?
(5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole has a molecular weight of 292.18 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-bromo-6-methyl-1,2,4,11-tetrahydrooxocino[4,5-b]indole is sourced from PubChem (CID 177395491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).