7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one

C15H12N2O3 — CID 57037736

IUPAC7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2ccccc2)c2c1NC(=O)C2N=O
InChIInChI=1S/C15H12N2O3/c1-20-11-8-7-10(9-5-3-2-4-6-9)12-13(11)16-15(18)14(12)17-19/h2-8,14H,1H3,(H,16,18)
InChIKeyGXVBLRMBKUPWRG-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.12
Rot. Bonds3

About 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one

7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one (PubChem CID 57037736) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one
PubChem CID57037736
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one
SMILESCOc1ccc(-c2ccccc2)c2c1NC(=O)C2N=O
InChIInChI=1S/C15H12N2O3/c1-20-11-8-7-10(9-5-3-2-4-6-9)12-13(11)16-15(18)14(12)17-19/h2-8,14H,1H3,(H,16,18)
InChIKeyGXVBLRMBKUPWRG-UHFFFAOYSA-N
XLogP3.12
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one (CID 57037736) is 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one is COc1ccc(-c2ccccc2)c2c1NC(=O)C2N=O.
What is the InChIKey of 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one?
The InChIKey is GXVBLRMBKUPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-8-7-10(9-5-3-2-4-6-9)12-13(11)16-15(18)14(12)17-19/h2-8,14H,1H3,(H,16,18).
What are the key properties of 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one?
7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one has a molecular weight of 268.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-nitroso-4-phenyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 57037736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).