3-azido-3-(4-methylphenyl)-1H-indol-2-one

C15H12N4O — CID 138970480

IUPAC3-azido-3-(4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(N=[N+]=[N-])C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)15(18-19-16)12-4-2-3-5-13(12)17-14(15)20/h2-9H,1H3,(H,17,20)
InChIKeyKBOLWTJHAQETCT-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.50
Rot. Bonds2

About 3-azido-3-(4-methylphenyl)-1H-indol-2-one

3-azido-3-(4-methylphenyl)-1H-indol-2-one (PubChem CID 138970480) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-azido-3-(4-methylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-azido-3-(4-methylphenyl)-1H-indol-2-one
PubChem CID138970480
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name3-azido-3-(4-methylphenyl)-1H-indol-2-one
SMILESCc1ccc(C2(N=[N+]=[N-])C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)15(18-19-16)12-4-2-3-5-13(12)17-14(15)20/h2-9H,1H3,(H,17,20)
InChIKeyKBOLWTJHAQETCT-UHFFFAOYSA-N
XLogP3.50
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

9-azido-9-(4-methylphenyl)fluorene
CID 170607115
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
3-azido-3-benzyl-1H-indol-2-one
CID 170607134
3-azido-6-chloro-3-phenyl-1H-quinoline-2,4-dione
CID 592804
3-methyl-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 126469346
(3S)-3-(2-azidoethyl)-3-(5-methyl-2,3-dihydroindol-1-yl)-1H-indol-2-one
CID 102129719
3-azido-5,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
CID 110272773
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
CID 146949857
CID 146949857
3-[(3S)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]-3-phenyl-1H-indol-2-one
CID 139845178
(3R)-3-anilino-3-[(4-methylphenyl)methyl]-1H-indol-2-one
CID 132839196
2'-(azidomethyl)spiro[1H-indole-3,4'-oxolane]-2-one
CID 135325163

Frequently Asked Questions

What is the IUPAC name of 3-azido-3-(4-methylphenyl)-1H-indol-2-one?
The IUPAC name of 3-azido-3-(4-methylphenyl)-1H-indol-2-one (CID 138970480) is 3-azido-3-(4-methylphenyl)-1H-indol-2-one.
What is the SMILES notation for 3-azido-3-(4-methylphenyl)-1H-indol-2-one?
The canonical SMILES for 3-azido-3-(4-methylphenyl)-1H-indol-2-one is Cc1ccc(C2(N=[N+]=[N-])C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-azido-3-(4-methylphenyl)-1H-indol-2-one?
The InChIKey is KBOLWTJHAQETCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-10-6-8-11(9-7-10)15(18-19-16)12-4-2-3-5-13(12)17-14(15)20/h2-9H,1H3,(H,17,20).
What are the key properties of 3-azido-3-(4-methylphenyl)-1H-indol-2-one?
3-azido-3-(4-methylphenyl)-1H-indol-2-one has a molecular weight of 264.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-3-(4-methylphenyl)-1H-indol-2-one is sourced from PubChem (CID 138970480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).