(3R)-3-nitro-3-phenyl-1H-indol-2-one

C14H10N2O3 — CID 164681238

IUPAC(3R)-3-nitro-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H10N2O3/c17-13-14(16(18)19,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9H,(H,15,17)/t14-/m1/s1
InChIKeyODKXCDQPFNAPOY-CQSZACIVSA-N
MW254.25 g/mol
LogP2.16
Rot. Bonds2

About (3R)-3-nitro-3-phenyl-1H-indol-2-one

(3R)-3-nitro-3-phenyl-1H-indol-2-one (PubChem CID 164681238) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (3R)-3-nitro-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-nitro-3-phenyl-1H-indol-2-one
PubChem CID164681238
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(3R)-3-nitro-3-phenyl-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C14H10N2O3/c17-13-14(16(18)19,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9H,(H,15,17)/t14-/m1/s1
InChIKeyODKXCDQPFNAPOY-CQSZACIVSA-N
XLogP2.16
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-nitro-3-phenyl-1H-indol-2-one?
The IUPAC name of (3R)-3-nitro-3-phenyl-1H-indol-2-one (CID 164681238) is (3R)-3-nitro-3-phenyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-nitro-3-phenyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-nitro-3-phenyl-1H-indol-2-one is O=C1Nc2ccccc2[C@@]1(c1ccccc1)[N+](=O)[O-].
What is the InChIKey of (3R)-3-nitro-3-phenyl-1H-indol-2-one?
The InChIKey is ODKXCDQPFNAPOY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-14(16(18)19,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9H,(H,15,17)/t14-/m1/s1.
What are the key properties of (3R)-3-nitro-3-phenyl-1H-indol-2-one?
(3R)-3-nitro-3-phenyl-1H-indol-2-one has a molecular weight of 254.25 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-nitro-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 164681238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).