9-iodo-1,2,3,4-tetrahydrocarbazole

C12H12IN — CID 146323792

IUPAC9-iodo-1,2,3,4-tetrahydrocarbazole
SMILESIn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C12H12IN/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7H,2,4,6,8H2
InChIKeyGHDQHBOTNPOISG-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.72
Rot. Bonds

About 9-iodo-1,2,3,4-tetrahydrocarbazole

9-iodo-1,2,3,4-tetrahydrocarbazole (PubChem CID 146323792) has the molecular formula C12H12IN and a molecular weight of 297.14 g/mol. Its IUPAC name is 9-iodo-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name9-iodo-1,2,3,4-tetrahydrocarbazole
PubChem CID146323792
Molecular FormulaC12H12IN
Molecular Weight297.14 g/mol
Exact Mass297.00
IUPAC Name9-iodo-1,2,3,4-tetrahydrocarbazole
SMILESIn1c2c(c3ccccc31)CCCC2
InChIInChI=1S/C12H12IN/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7H,2,4,6,8H2
InChIKeyGHDQHBOTNPOISG-UHFFFAOYSA-N
XLogP3.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydrocarbazole-9-carbaldehyde
CID 12710330
9-(4-chlorophenyl)-1,2,3,4-tetrahydrocarbazole
CID 812920
9-prop-2-ynyl-1,2,3,4-tetrahydrocarbazole
CID 12711910
2-methyl-1-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-1-one
CID 100829916
4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzonitrile
CID 69192503
(2R)-2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propanenitrile
CID 125469950
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)propanenitrile
CID 125494385
3-(17-azatricyclo[8.7.0.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)propanenitrile
CID 125494435
9-cyclohexa-2,4-dien-1-yl-1,2,3,4-tetrahydrocarbazole
CID 145313772
4-(3,5-dimethylphenyl)-2,3-dihydro-1H-cyclopenta[b]indole
CID 58028341
(2-fluorophenyl)-(1,2,3,4-tetrahydrocarbazol-9-yl)methanone
CID 746851
(2R)-1-(2,3-dihydro-1H-cyclopenta[b]indol-4-yl)propan-2-amine
CID 10220009

Frequently Asked Questions

What is the IUPAC name of 9-iodo-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 9-iodo-1,2,3,4-tetrahydrocarbazole (CID 146323792) is 9-iodo-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 9-iodo-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 9-iodo-1,2,3,4-tetrahydrocarbazole is In1c2c(c3ccccc31)CCCC2.
What is the InChIKey of 9-iodo-1,2,3,4-tetrahydrocarbazole?
The InChIKey is GHDQHBOTNPOISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7H,2,4,6,8H2.
What are the key properties of 9-iodo-1,2,3,4-tetrahydrocarbazole?
9-iodo-1,2,3,4-tetrahydrocarbazole has a molecular weight of 297.14 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 146323792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).