2-methyl-5-nitro-2-phenyl-1H-indol-3-one

C15H12N2O3 — CID 10934457

IUPAC2-methyl-5-nitro-2-phenyl-1H-indol-3-one
SMILESCC1(c2ccccc2)Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C15H12N2O3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(17(19)20)7-8-13(12)16-15/h2-9,16H,1H3
InChIKeyUTSMNKNBRXNFHV-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-5-nitro-2-phenyl-1H-indol-3-one

2-methyl-5-nitro-2-phenyl-1H-indol-3-one (PubChem CID 10934457) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methyl-5-nitro-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-methyl-5-nitro-2-phenyl-1H-indol-3-one
PubChem CID10934457
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-methyl-5-nitro-2-phenyl-1H-indol-3-one
SMILESCC1(c2ccccc2)Nc2ccc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C15H12N2O3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(17(19)20)7-8-13(12)16-15/h2-9,16H,1H3
InChIKeyUTSMNKNBRXNFHV-UHFFFAOYSA-N
XLogP3.12
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3128964
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CID 4506
Nitrazepam sodium
CID 176507617
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
(2S)-6-nitro-2-phenyl-2,3-dihydro-1H-quinazolin-4-one
CID 129390666
3-hydroxy-7-nitro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 616119
3-methyl-7-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 4860868
5-methyl-3-[2-(4-nitrophenyl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 10664801
(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
7-nitro-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 23276342
6-nitro-2-pyridin-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 2796989
2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10686540

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-methyl-5-nitro-2-phenyl-1H-indol-3-one (CID 10934457) is 2-methyl-5-nitro-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-methyl-5-nitro-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-methyl-5-nitro-2-phenyl-1H-indol-3-one is CC1(c2ccccc2)Nc2ccc([N+](=O)[O-])cc2C1=O.
What is the InChIKey of 2-methyl-5-nitro-2-phenyl-1H-indol-3-one?
The InChIKey is UTSMNKNBRXNFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-15(10-5-3-2-4-6-10)14(18)12-9-11(17(19)20)7-8-13(12)16-15/h2-9,16H,1H3.
What are the key properties of 2-methyl-5-nitro-2-phenyl-1H-indol-3-one?
2-methyl-5-nitro-2-phenyl-1H-indol-3-one has a molecular weight of 268.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 10934457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).