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

C14H10INO — CID 139061934

IUPAC5-iodo-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1c1ccccc1
InChIInChI=1S/C14H10INO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyMBBOTMAXCIZDHH-UHFFFAOYSA-N
MW335.14 g/mol
LogP3.51
Rot. Bonds1

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

5-iodo-1-phenyl-3H-indol-2-one (PubChem CID 139061934) has the molecular formula C14H10INO and a molecular weight of 335.14 g/mol. Its IUPAC name is 5-iodo-1-phenyl-3H-indol-2-one.

Molecular Properties

Compound Name5-iodo-1-phenyl-3H-indol-2-one
PubChem CID139061934
Molecular FormulaC14H10INO
Molecular Weight335.14 g/mol
Exact Mass334.98
IUPAC Name5-iodo-1-phenyl-3H-indol-2-one
SMILESO=C1Cc2cc(I)ccc2N1c1ccccc1
InChIInChI=1S/C14H10INO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyMBBOTMAXCIZDHH-UHFFFAOYSA-N
XLogP3.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 53.51
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

5-bromo-1-phenyl-3H-indol-2-one
CID 139061933
1-phenyl-5H-1-benzazepine-2,4-dione
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1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
1-(2,2-difluoro-2-phenylethyl)-5-iodo-3H-indol-2-one
CID 116790904
1-(4-hydroxyphenyl)-3H-indol-2-one
CID 11977007
1-(4-iodo-2,6-dimethylphenyl)-3H-indol-2-one
CID 134858041
3-phenyl-1H-benzo[e]indol-2-one
CID 11139819
7-fluoro-1-methyl-5-phenyl-1,5-benzodiazepine-2,4-dione
CID 67474813
1-[4-(aminomethyl)phenyl]-3H-indol-2-one
CID 117030089
1-[(3,5-dimethylphenyl)methyl]-5-iodo-3H-indol-2-one
CID 79787632
5-iodo-1-nonyl-3H-indol-2-one
CID 79784933
2-tert-butyl-10-(4-iodophenyl)-9H-acridine
CID 134425823

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-phenyl-3H-indol-2-one?
The IUPAC name of 5-iodo-1-phenyl-3H-indol-2-one (CID 139061934) is 5-iodo-1-phenyl-3H-indol-2-one.
What is the SMILES notation for 5-iodo-1-phenyl-3H-indol-2-one?
The canonical SMILES for 5-iodo-1-phenyl-3H-indol-2-one is O=C1Cc2cc(I)ccc2N1c1ccccc1.
What is the InChIKey of 5-iodo-1-phenyl-3H-indol-2-one?
The InChIKey is MBBOTMAXCIZDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO/c15-11-6-7-13-10(8-11)9-14(17)16(13)12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 5-iodo-1-phenyl-3H-indol-2-one?
5-iodo-1-phenyl-3H-indol-2-one has a molecular weight of 335.14 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-phenyl-3H-indol-2-one is sourced from PubChem (CID 139061934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).