2-methyl-4-nitro-1H-indene

C10H9NO2 — CID 118331948

IUPAC2-methyl-4-nitro-1H-indene
SMILESCC1=Cc2c(cccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H9NO2/c1-7-5-8-3-2-4-10(11(12)13)9(8)6-7/h2-4,6H,5H2,1H3
InChIKeyOUKHYWBFKPUVED-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.55
Rot. Bonds1

About 2-methyl-4-nitro-1H-indene

2-methyl-4-nitro-1H-indene (PubChem CID 118331948) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methyl-4-nitro-1H-indene.

Molecular Properties

Compound Name2-methyl-4-nitro-1H-indene
PubChem CID118331948
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-methyl-4-nitro-1H-indene
SMILESCC1=Cc2c(cccc2[N+](=O)[O-])C1
InChIInChI=1S/C10H9NO2/c1-7-5-8-3-2-4-10(11(12)13)9(8)6-7/h2-4,6H,5H2,1H3
InChIKeyOUKHYWBFKPUVED-UHFFFAOYSA-N
XLogP2.55
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.55
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-1H-indene?
The IUPAC name of 2-methyl-4-nitro-1H-indene (CID 118331948) is 2-methyl-4-nitro-1H-indene.
What is the SMILES notation for 2-methyl-4-nitro-1H-indene?
The canonical SMILES for 2-methyl-4-nitro-1H-indene is CC1=Cc2c(cccc2[N+](=O)[O-])C1.
What is the InChIKey of 2-methyl-4-nitro-1H-indene?
The InChIKey is OUKHYWBFKPUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-5-8-3-2-4-10(11(12)13)9(8)6-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-methyl-4-nitro-1H-indene?
2-methyl-4-nitro-1H-indene has a molecular weight of 175.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-1H-indene is sourced from PubChem (CID 118331948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).