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

C9H7NO2 — CID 148830784

IUPAC5-nitroso-2,3-dihydroinden-1-one
SMILESO=Nc1ccc2c(c1)CCC2=O
InChIInChI=1S/C9H7NO2/c11-9-4-1-6-5-7(10-12)2-3-8(6)9/h2-3,5H,1,4H2
InChIKeyOTQHDDAEWCKBSX-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.21
Rot. Bonds1

About 5-nitroso-2,3-dihydroinden-1-one

5-nitroso-2,3-dihydroinden-1-one (PubChem CID 148830784) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-nitroso-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-nitroso-2,3-dihydroinden-1-one
PubChem CID148830784
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name5-nitroso-2,3-dihydroinden-1-one
SMILESO=Nc1ccc2c(c1)CCC2=O
InChIInChI=1S/C9H7NO2/c11-9-4-1-6-5-7(10-12)2-3-8(6)9/h2-3,5H,1,4H2
InChIKeyOTQHDDAEWCKBSX-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-2,3-dihydroinden-1-one?
The IUPAC name of 5-nitroso-2,3-dihydroinden-1-one (CID 148830784) is 5-nitroso-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-nitroso-2,3-dihydroinden-1-one?
The canonical SMILES for 5-nitroso-2,3-dihydroinden-1-one is O=Nc1ccc2c(c1)CCC2=O.
What is the InChIKey of 5-nitroso-2,3-dihydroinden-1-one?
The InChIKey is OTQHDDAEWCKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-9-4-1-6-5-7(10-12)2-3-8(6)9/h2-3,5H,1,4H2.
What are the key properties of 5-nitroso-2,3-dihydroinden-1-one?
5-nitroso-2,3-dihydroinden-1-one has a molecular weight of 161.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-2,3-dihydroinden-1-one is sourced from PubChem (CID 148830784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).