1-methylidene-7-methylidene-4H-indene

C11H9+ — CID 137125426

IUPAC1-methylidene-7-methylidene-4H-indene
SMILES[H]/[C+]=C1\C=CCC2=C1C(=C)C=C2
InChIInChI=1S/C11H9/c1-8-4-3-5-10-7-6-9(2)11(8)10/h1,3-4,6-7H,2,5H2/q+1
InChIKeyJAXOIOBKNSGTLF-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.73
Rot. Bonds

About 1-methylidene-7-methylidene-4H-indene

1-methylidene-7-methylidene-4H-indene (PubChem CID 137125426) has the molecular formula C11H9+ and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-methylidene-7-methylidene-4H-indene.

Molecular Properties

Compound Name1-methylidene-7-methylidene-4H-indene
PubChem CID137125426
Molecular FormulaC11H9+
Molecular Weight141.19 g/mol
Exact Mass141.07
IUPAC Name1-methylidene-7-methylidene-4H-indene
SMILES[H]/[C+]=C1\C=CCC2=C1C(=C)C=C2
InChIInChI=1S/C11H9/c1-8-4-3-5-10-7-6-9(2)11(8)10/h1,3-4,6-7H,2,5H2/q+1
InChIKeyJAXOIOBKNSGTLF-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-7-methylidene-4H-indene?
The IUPAC name of 1-methylidene-7-methylidene-4H-indene (CID 137125426) is 1-methylidene-7-methylidene-4H-indene.
What is the SMILES notation for 1-methylidene-7-methylidene-4H-indene?
The canonical SMILES for 1-methylidene-7-methylidene-4H-indene is [H]/[C+]=C1\C=CCC2=C1C(=C)C=C2.
What is the InChIKey of 1-methylidene-7-methylidene-4H-indene?
The InChIKey is JAXOIOBKNSGTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9/c1-8-4-3-5-10-7-6-9(2)11(8)10/h1,3-4,6-7H,2,5H2/q+1.
What are the key properties of 1-methylidene-7-methylidene-4H-indene?
1-methylidene-7-methylidene-4H-indene has a molecular weight of 141.19 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-7-methylidene-4H-indene is sourced from PubChem (CID 137125426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).