4,5,6,7-tetrahydro-1H-inden-1-ide

C9H11- — CID 11987054

IUPAC4,5,6,7-tetrahydro-1H-inden-1-ide
SMILESc1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q-1
InChIKeyQXRCJFSBCYJJLR-UHFFFAOYSA-N
MW119.19 g/mol
LogP2.28
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-inden-1-ide

4,5,6,7-tetrahydro-1H-inden-1-ide (PubChem CID 11987054) has the molecular formula C9H11- and a molecular weight of 119.19 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-inden-1-ide.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-inden-1-ide
PubChem CID11987054
Molecular FormulaC9H11-
Molecular Weight119.19 g/mol
Exact Mass119.09
IUPAC Name4,5,6,7-tetrahydro-1H-inden-1-ide
SMILESc1cc2c([cH-]1)CCCC2
InChIInChI=1S/C9H11/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q-1
InChIKeyQXRCJFSBCYJJLR-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 52.28
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 4,5,6,7-tetrahydro-1H-inden-1-ide?
The IUPAC name of 4,5,6,7-tetrahydro-1H-inden-1-ide (CID 11987054) is 4,5,6,7-tetrahydro-1H-inden-1-ide.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-inden-1-ide?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-inden-1-ide is c1cc2c([cH-]1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-inden-1-ide?
The InChIKey is QXRCJFSBCYJJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11/c1-2-5-9-7-3-6-8(9)4-1/h3,6-7H,1-2,4-5H2/q-1.
What are the key properties of 4,5,6,7-tetrahydro-1H-inden-1-ide?
4,5,6,7-tetrahydro-1H-inden-1-ide has a molecular weight of 119.19 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-inden-1-ide is sourced from PubChem (CID 11987054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).