5-iodo-1-nonyl-3H-indol-2-one

C17H24INO — CID 79784933

IUPAC5-iodo-1-nonyl-3H-indol-2-one
SMILESCCCCCCCCCN1C(=O)Cc2cc(I)ccc21
InChIInChI=1S/C17H24INO/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13H2,1H3
InChIKeyYPAZBFKGVBAUCA-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.93
Rot. Bonds8

About 5-iodo-1-nonyl-3H-indol-2-one

5-iodo-1-nonyl-3H-indol-2-one (PubChem CID 79784933) has the molecular formula C17H24INO and a molecular weight of 385.29 g/mol. Its IUPAC name is 5-iodo-1-nonyl-3H-indol-2-one.

Molecular Properties

Compound Name5-iodo-1-nonyl-3H-indol-2-one
PubChem CID79784933
Molecular FormulaC17H24INO
Molecular Weight385.29 g/mol
Exact Mass385.09
IUPAC Name5-iodo-1-nonyl-3H-indol-2-one
SMILESCCCCCCCCCN1C(=O)Cc2cc(I)ccc21
InChIInChI=1S/C17H24INO/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13H2,1H3
InChIKeyYPAZBFKGVBAUCA-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787898
1,5-dihexadecyl-3,7-dihydropyrrolo[2,3-f]indole-2,6-dione
CID 118343384
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-amino-1-decyl-3H-indol-2-one
CID 62221874
6-(6-iodo-2-oxo-3,4-dihydroquinolin-1-yl)hexanoic acid
CID 79784361
4-heptyl-7-iodo-1,4-benzoxazin-3-one
CID 79785529
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
1-(5-bromopentyl)-5-methyl-3H-indol-2-one
CID 57128924
5-iodo-1-[(2-propyl-1,2,4-triazol-3-yl)methyl]-3H-indol-2-one
CID 79788049
N-(1-butyl-2-oxo-3H-indol-5-yl)-N-methylethanesulfonamide
CID 125470934
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-hexyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711273

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-nonyl-3H-indol-2-one?
The IUPAC name of 5-iodo-1-nonyl-3H-indol-2-one (CID 79784933) is 5-iodo-1-nonyl-3H-indol-2-one.
What is the SMILES notation for 5-iodo-1-nonyl-3H-indol-2-one?
The canonical SMILES for 5-iodo-1-nonyl-3H-indol-2-one is CCCCCCCCCN1C(=O)Cc2cc(I)ccc21.
What is the InChIKey of 5-iodo-1-nonyl-3H-indol-2-one?
The InChIKey is YPAZBFKGVBAUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24INO/c1-2-3-4-5-6-7-8-11-19-16-10-9-15(18)12-14(16)13-17(19)20/h9-10,12H,2-8,11,13H2,1H3.
What are the key properties of 5-iodo-1-nonyl-3H-indol-2-one?
5-iodo-1-nonyl-3H-indol-2-one has a molecular weight of 385.29 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-nonyl-3H-indol-2-one is sourced from PubChem (CID 79784933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).