3,3-dimethyl-5-phenyl-1H-indol-2-one

C16H15NO — CID 79018952

IUPAC3,3-dimethyl-5-phenyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H15NO/c1-16(2)13-10-12(11-6-4-3-5-7-11)8-9-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18)
InChIKeyTYGMMKIIWZXVMS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.58
Rot. Bonds1

About 3,3-dimethyl-5-phenyl-1H-indol-2-one

3,3-dimethyl-5-phenyl-1H-indol-2-one (PubChem CID 79018952) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-phenyl-1H-indol-2-one
PubChem CID79018952
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3,3-dimethyl-5-phenyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H15NO/c1-16(2)13-10-12(11-6-4-3-5-7-11)8-9-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18)
InChIKeyTYGMMKIIWZXVMS-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
CID 90864973
5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82483609
3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
CID 154863606
(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one
CID 125448878
3,3-dimethyl-5-nitro-1H-indol-2-one;ethane
CID 143412729
5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478006
9,9-dimethyl-2,7-bis(6-phenyl-3-pyridinyl)-10H-acridine
CID 141492915
5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
CID 82482219
3,3-dimethyl-5,6-diphenyl-1,7-dihydropyrrolo[3,2-f]indol-2-one
CID 70380554
3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one;hydrate
CID 71461697
N,3,3-trimethyl-2-oxo-N-phenyl-1H-indole-5-carboxamide
CID 110700546
5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478007

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-phenyl-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-phenyl-1H-indol-2-one (CID 79018952) is 3,3-dimethyl-5-phenyl-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-phenyl-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-phenyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3,3-dimethyl-5-phenyl-1H-indol-2-one?
The InChIKey is TYGMMKIIWZXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-16(2)13-10-12(11-6-4-3-5-7-11)8-9-14(13)17-15(16)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 3,3-dimethyl-5-phenyl-1H-indol-2-one?
3,3-dimethyl-5-phenyl-1H-indol-2-one has a molecular weight of 237.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-phenyl-1H-indol-2-one is sourced from PubChem (CID 79018952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).