2-methyl-3-methylidene-7-nitro-1H-isoindole

C10H10N2O2 — CID 150199954

IUPAC2-methyl-3-methylidene-7-nitro-1H-isoindole
SMILESC=C1c2cccc([N+](=O)[O-])c2CN1C
InChIInChI=1S/C10H10N2O2/c1-7-8-4-3-5-10(12(13)14)9(8)6-11(7)2/h3-5H,1,6H2,2H3
InChIKeyFPGHTQDDBBYHRT-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.01
Rot. Bonds1

About 2-methyl-3-methylidene-7-nitro-1H-isoindole

2-methyl-3-methylidene-7-nitro-1H-isoindole (PubChem CID 150199954) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-methyl-3-methylidene-7-nitro-1H-isoindole.

Molecular Properties

Compound Name2-methyl-3-methylidene-7-nitro-1H-isoindole
PubChem CID150199954
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-methyl-3-methylidene-7-nitro-1H-isoindole
SMILESC=C1c2cccc([N+](=O)[O-])c2CN1C
InChIInChI=1S/C10H10N2O2/c1-7-8-4-3-5-10(12(13)14)9(8)6-11(7)2/h3-5H,1,6H2,2H3
InChIKeyFPGHTQDDBBYHRT-UHFFFAOYSA-N
XLogP2.01
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.01
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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CID 140915258
2-(3,6-dimethyl-6-bicyclo[3.2.1]octanyl)-4-nitro-3H-isoindol-1-one
CID 155296689
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CID 88784383
2-(2-hydroxy-6-oxopiperidin-3-yl)-4-nitro-3H-isoindol-1-one
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CID 12869182
1-[5-acetyl-1,6-dimethyl-4-(2-nitrophenyl)-2H-pyridin-3-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylidene-7-nitro-1H-isoindole?
The IUPAC name of 2-methyl-3-methylidene-7-nitro-1H-isoindole (CID 150199954) is 2-methyl-3-methylidene-7-nitro-1H-isoindole.
What is the SMILES notation for 2-methyl-3-methylidene-7-nitro-1H-isoindole?
The canonical SMILES for 2-methyl-3-methylidene-7-nitro-1H-isoindole is C=C1c2cccc([N+](=O)[O-])c2CN1C.
What is the InChIKey of 2-methyl-3-methylidene-7-nitro-1H-isoindole?
The InChIKey is FPGHTQDDBBYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-8-4-3-5-10(12(13)14)9(8)6-11(7)2/h3-5H,1,6H2,2H3.
What are the key properties of 2-methyl-3-methylidene-7-nitro-1H-isoindole?
2-methyl-3-methylidene-7-nitro-1H-isoindole has a molecular weight of 190.20 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylidene-7-nitro-1H-isoindole is sourced from PubChem (CID 150199954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).