6-methyl-4-nitro-2,3-dihydroinden-1-one

C10H9NO3 — CID 20643039

IUPAC6-methyl-4-nitro-2,3-dihydroinden-1-one
SMILESCc1cc2c(c([N+](=O)[O-])c1)CCC2=O
InChIInChI=1S/C10H9NO3/c1-6-4-8-7(2-3-10(8)12)9(5-6)11(13)14/h4-5H,2-3H2,1H3
InChIKeyOPDCBHWQBUJGRJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.03
Rot. Bonds1

About 6-methyl-4-nitro-2,3-dihydroinden-1-one

6-methyl-4-nitro-2,3-dihydroinden-1-one (PubChem CID 20643039) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methyl-4-nitro-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methyl-4-nitro-2,3-dihydroinden-1-one
PubChem CID20643039
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-methyl-4-nitro-2,3-dihydroinden-1-one
SMILESCc1cc2c(c([N+](=O)[O-])c1)CCC2=O
InChIInChI=1S/C10H9NO3/c1-6-4-8-7(2-3-10(8)12)9(5-6)11(13)14/h4-5H,2-3H2,1H3
InChIKeyOPDCBHWQBUJGRJ-UHFFFAOYSA-N
XLogP2.03
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-nitro-2,3-dihydroinden-1-one?
The IUPAC name of 6-methyl-4-nitro-2,3-dihydroinden-1-one (CID 20643039) is 6-methyl-4-nitro-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methyl-4-nitro-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methyl-4-nitro-2,3-dihydroinden-1-one is Cc1cc2c(c([N+](=O)[O-])c1)CCC2=O.
What is the InChIKey of 6-methyl-4-nitro-2,3-dihydroinden-1-one?
The InChIKey is OPDCBHWQBUJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-4-8-7(2-3-10(8)12)9(5-6)11(13)14/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-4-nitro-2,3-dihydroinden-1-one?
6-methyl-4-nitro-2,3-dihydroinden-1-one has a molecular weight of 191.19 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-nitro-2,3-dihydroinden-1-one is sourced from PubChem (CID 20643039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).