3-methoxy-6-nitro-1H-indene

C10H9NO3 — CID 159861665

IUPAC3-methoxy-6-nitro-1H-indene
SMILESCOC1=CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H9NO3/c1-14-10-5-2-7-6-8(11(12)13)3-4-9(7)10/h3-6H,2H2,1H3
InChIKeyRRSHPFLMDDWIQU-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.14
Rot. Bonds2

About 3-methoxy-6-nitro-1H-indene

3-methoxy-6-nitro-1H-indene (PubChem CID 159861665) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-methoxy-6-nitro-1H-indene.

Molecular Properties

Compound Name3-methoxy-6-nitro-1H-indene
PubChem CID159861665
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-methoxy-6-nitro-1H-indene
SMILESCOC1=CCc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C10H9NO3/c1-14-10-5-2-7-6-8(11(12)13)3-4-9(7)10/h3-6H,2H2,1H3
InChIKeyRRSHPFLMDDWIQU-UHFFFAOYSA-N
XLogP2.14
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.14
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-nitro-1H-indene?
The IUPAC name of 3-methoxy-6-nitro-1H-indene (CID 159861665) is 3-methoxy-6-nitro-1H-indene.
What is the SMILES notation for 3-methoxy-6-nitro-1H-indene?
The canonical SMILES for 3-methoxy-6-nitro-1H-indene is COC1=CCc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-methoxy-6-nitro-1H-indene?
The InChIKey is RRSHPFLMDDWIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10-5-2-7-6-8(11(12)13)3-4-9(7)10/h3-6H,2H2,1H3.
What are the key properties of 3-methoxy-6-nitro-1H-indene?
3-methoxy-6-nitro-1H-indene has a molecular weight of 191.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-nitro-1H-indene is sourced from PubChem (CID 159861665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).