2-nitroso-2,3-dihydroinden-1-one

C9H7NO2 — CID 2780280

IUPAC2-nitroso-2,3-dihydroinden-1-one
SMILESO=NC1Cc2ccccc2C1=O
InChIInChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,8H,5H2
InChIKeyDEVLXNDLGCSNGC-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.56
Rot. Bonds1

About 2-nitroso-2,3-dihydroinden-1-one

2-nitroso-2,3-dihydroinden-1-one (PubChem CID 2780280) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-nitroso-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-nitroso-2,3-dihydroinden-1-one
PubChem CID2780280
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name2-nitroso-2,3-dihydroinden-1-one
SMILESO=NC1Cc2ccccc2C1=O
InChIInChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,8H,5H2
InChIKeyDEVLXNDLGCSNGC-UHFFFAOYSA-N
XLogP1.56
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-nitroso-2,3-dihydroinden-1-one?
The IUPAC name of 2-nitroso-2,3-dihydroinden-1-one (CID 2780280) is 2-nitroso-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-nitroso-2,3-dihydroinden-1-one?
The canonical SMILES for 2-nitroso-2,3-dihydroinden-1-one is O=NC1Cc2ccccc2C1=O.
What is the InChIKey of 2-nitroso-2,3-dihydroinden-1-one?
The InChIKey is DEVLXNDLGCSNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10-12/h1-4,8H,5H2.
What are the key properties of 2-nitroso-2,3-dihydroinden-1-one?
2-nitroso-2,3-dihydroinden-1-one has a molecular weight of 161.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-2,3-dihydroinden-1-one is sourced from PubChem (CID 2780280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).