5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole

C9H8INO2 — CID 142057462

IUPAC5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
SMILESIN1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C9H8INO2/c10-11-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h3-4H,1-2,5H2
InChIKeyVDGATLSOXCMPFY-UHFFFAOYSA-N
MW289.07 g/mol
LogP2.13
Rot. Bonds

About 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole

5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole (PubChem CID 142057462) has the molecular formula C9H8INO2 and a molecular weight of 289.07 g/mol. Its IUPAC name is 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
PubChem CID142057462
Molecular FormulaC9H8INO2
Molecular Weight289.07 g/mol
Exact Mass288.96
IUPAC Name5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
SMILESIN1CCc2cc3c(cc21)OCO3
InChIInChI=1S/C9H8INO2/c10-11-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h3-4H,1-2,5H2
InChIKeyVDGATLSOXCMPFY-UHFFFAOYSA-N
XLogP2.13
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 2752336
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 3618065
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
CID 27012
6-[(4-bromophenyl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 73212264
1-(7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)-3,3-dimethylbutan-1-one
CID 110409632
N-cyclopropyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
CID 110616138
5-methoxy-7H-[1,3]dioxolo[4,5-f]indol-6-one
CID 135021934
(5R)-5-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-5H-furo[3,4-f][1,3]benzodioxol-7-one
CID 11728284
7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl-[4-(dimethylamino)phenyl]methanone
CID 110661408
2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-amine
CID 20559728
15-methyl-7,9,19,21-tetraoxa-15-azapentacyclo[15.7.0.04,12.06,10.018,22]tetracosa-1(17),4,6(10),11,18(22),23-hexaene
CID 15765609

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole (CID 142057462) is 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole is IN1CCc2cc3c(cc21)OCO3.
What is the InChIKey of 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole?
The InChIKey is VDGATLSOXCMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO2/c10-11-2-1-6-3-8-9(4-7(6)11)13-5-12-8/h3-4H,1-2,5H2.
What are the key properties of 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole?
5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole has a molecular weight of 289.07 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 142057462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).