5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene

C12H13NO2 — CID 131880139

IUPAC5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene
SMILESCc1cc2c(cc1C=C[N+](=O)[O-])CCC2
InChIInChI=1S/C12H13NO2/c1-9-7-11-3-2-4-12(11)8-10(9)5-6-13(14)15/h5-8H,2-4H2,1H3
InChIKeyGXAJRDYBDYIJNT-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.73
Rot. Bonds2

About 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene

5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene (PubChem CID 131880139) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene
PubChem CID131880139
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene
SMILESCc1cc2c(cc1C=C[N+](=O)[O-])CCC2
InChIInChI=1S/C12H13NO2/c1-9-7-11-3-2-4-12(11)8-10(9)5-6-13(14)15/h5-8H,2-4H2,1H3
InChIKeyGXAJRDYBDYIJNT-UHFFFAOYSA-N
XLogP2.73
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene (CID 131880139) is 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene is Cc1cc2c(cc1C=C[N+](=O)[O-])CCC2.
What is the InChIKey of 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene?
The InChIKey is GXAJRDYBDYIJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-9-7-11-3-2-4-12(11)8-10(9)5-6-13(14)15/h5-8H,2-4H2,1H3.
What are the key properties of 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene?
5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene has a molecular weight of 203.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-nitroethenyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 131880139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).