2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one

C16H14N2O5 — CID 101498454

IUPAC2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one
SMILESCOCN1c2ccccc2C(=O)C1(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-23-10-17-13-8-4-2-6-11(13)15(19)16(17,20)12-7-3-5-9-14(12)18(21)22/h2-9,20H,10H2,1H3
InChIKeyDBRMQPYHXSKJLN-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.05
Rot. Bonds4

About 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one

2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one (PubChem CID 101498454) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one.

Molecular Properties

Compound Name2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one
PubChem CID101498454
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one
SMILESCOCN1c2ccccc2C(=O)C1(O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O5/c1-23-10-17-13-8-4-2-6-11(13)15(19)16(17,20)12-7-3-5-9-14(12)18(21)22/h2-9,20H,10H2,1H3
InChIKeyDBRMQPYHXSKJLN-UHFFFAOYSA-N
XLogP2.05
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one?
The IUPAC name of 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one (CID 101498454) is 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one.
What is the SMILES notation for 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one?
The canonical SMILES for 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one is COCN1c2ccccc2C(=O)C1(O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one?
The InChIKey is DBRMQPYHXSKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c1-23-10-17-13-8-4-2-6-11(13)15(19)16(17,20)12-7-3-5-9-14(12)18(21)22/h2-9,20H,10H2,1H3.
What are the key properties of 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one?
2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one has a molecular weight of 314.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(methoxymethyl)-2-(2-nitrophenyl)indol-3-one is sourced from PubChem (CID 101498454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).