1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile

C10H8INO — CID 69199338

IUPAC1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC2(O)I
InChIInChI=1S/C10H8INO/c11-10(13)4-3-8-5-7(6-12)1-2-9(8)10/h1-2,5,13H,3-4H2
InChIKeyFPNTXKQZJSLCKS-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.08
Rot. Bonds

About 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile

1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile (PubChem CID 69199338) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile.

Molecular Properties

Compound Name1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile
PubChem CID69199338
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile
SMILESN#Cc1ccc2c(c1)CCC2(O)I
InChIInChI=1S/C10H8INO/c11-10(13)4-3-8-5-7(6-12)1-2-9(8)10/h1-2,5,13H,3-4H2
InChIKeyFPNTXKQZJSLCKS-UHFFFAOYSA-N
XLogP2.08
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalene-2-carbonitrile
CID 102408738
3-chloro-4-(1-hydroxycyclopropyl)benzonitrile
CID 84772995
methyl 2-[(1R)-5-cyano-1-methyl-2,3-dihydroinden-1-yl]acetate
CID 154430640
spiro[1,3-dioxole-2,6'-7,8-dihydro-5H-naphthalene]-2'-carbonitrile
CID 141143093
tricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yne-6,15-dicarbonitrile
CID 102170033
(3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 131140735
spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
CID 70938687
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 13488729
1-(4-fluorophenyl)-1-formyl-3H-2-benzofuran-5-carbonitrile
CID 22561313
CID 89059815
CID 89059815
2-methanidyl-3,4-dihydro-1H-isoquinoline-6-carbonitrile
CID 58778089
9,10-dihydrophenanthrene-2-carbonitrile
CID 141332736

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile?
The IUPAC name of 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile (CID 69199338) is 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile.
What is the SMILES notation for 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile?
The canonical SMILES for 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile is N#Cc1ccc2c(c1)CCC2(O)I.
What is the InChIKey of 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile?
The InChIKey is FPNTXKQZJSLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c11-10(13)4-3-8-5-7(6-12)1-2-9(8)10/h1-2,5,13H,3-4H2.
What are the key properties of 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile?
1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile has a molecular weight of 285.08 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-iodo-2,3-dihydroindene-5-carbonitrile is sourced from PubChem (CID 69199338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).