2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one

C13H11Cl2NO — CID 155191532

IUPAC2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
SMILESO=C1CCCCc2c1[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H11Cl2NO/c14-9-5-8-7-3-1-2-4-12(17)13(7)16-11(8)6-10(9)15/h5-6,16H,1-4H2
InChIKeyQJZZTTYHUXRBMO-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.38
Rot. Bonds

About 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one

2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one (PubChem CID 155191532) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one.

Molecular Properties

Compound Name2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
PubChem CID155191532
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
SMILESO=C1CCCCc2c1[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H11Cl2NO/c14-9-5-8-7-3-1-2-4-12(17)13(7)16-11(8)6-10(9)15/h5-6,16H,1-4H2
InChIKeyQJZZTTYHUXRBMO-UHFFFAOYSA-N
XLogP4.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 612977
5-chloro-3-phenyl-1H-indole-2-carboxamide
CID 3721490
(5-chloro-1H-indol-2-yl)(phenyl)methanone
CID 794643
6-Chloro-4-oxo-1,2,3,4-tetrahydrocarbazole
CID 335703
6-chloro-3-methyl-9H-carbazole-1,4-dione
CID 14831886
5-chloro-3-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 154174959
7-chloro-3-methyl-9H-carbazole-1,4-dione
CID 162644786
1-(5-chloro-3-phenyl-1H-indol-2-yl)ethanone
CID 12258607
5-Chloro-1H-indole-2-carbaldehyde
CID 12203318
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
2,5,6-trichloro-1H-indole-3-carbaldehyde
CID 11345666
2-chloro-1-(5-chloro-1H-indol-2-yl)ethan-1-one
CID 118140831

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The IUPAC name of 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one (CID 155191532) is 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one.
What is the SMILES notation for 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The canonical SMILES for 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one is O=C1CCCCc2c1[nH]c1cc(Cl)c(Cl)cc21.
What is the InChIKey of 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
The InChIKey is QJZZTTYHUXRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-9-5-8-7-3-1-2-4-12(17)13(7)16-11(8)6-10(9)15/h5-6,16H,1-4H2.
What are the key properties of 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one?
2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one has a molecular weight of 268.14 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one is sourced from PubChem (CID 155191532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).