6-ethynyl-1H-indene

C11H8 — CID 151725384

IUPAC6-ethynyl-1H-indene
SMILESC#Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C11H8/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,3-4,6-8H,5H2
InChIKeyRJLSIRYPJCWIPQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.24
Rot. Bonds

About 6-ethynyl-1H-indene

6-ethynyl-1H-indene (PubChem CID 151725384) has the molecular formula C11H8 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-ethynyl-1H-indene.

Molecular Properties

Compound Name6-ethynyl-1H-indene
PubChem CID151725384
Molecular FormulaC11H8
Molecular Weight140.18 g/mol
Exact Mass140.06
IUPAC Name6-ethynyl-1H-indene
SMILESC#Cc1ccc2c(c1)CC=C2
InChIInChI=1S/C11H8/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,3-4,6-8H,5H2
InChIKeyRJLSIRYPJCWIPQ-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
1,2,3-Trimethylbenzene
CID 10686
1,2,3,4-Tetramethylbenzene
CID 10263
1,2,3,5-Tetramethylbenzene
CID 10695
1,2-Dimethyl-4-ethylbenzene
CID 13629
Durene
CID 7269
Triethylbenzene
CID 39149
2,5-Dimethylstyrene
CID 16265
1,4-Diethynylbenzene
CID 120463
2-Ethyl-p-xylene
CID 15653
4-Ethynyl-1,1'-biphenyl
CID 34464

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1H-indene?
The IUPAC name of 6-ethynyl-1H-indene (CID 151725384) is 6-ethynyl-1H-indene.
What is the SMILES notation for 6-ethynyl-1H-indene?
The canonical SMILES for 6-ethynyl-1H-indene is C#Cc1ccc2c(c1)CC=C2.
What is the InChIKey of 6-ethynyl-1H-indene?
The InChIKey is RJLSIRYPJCWIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8/c1-2-9-6-7-10-4-3-5-11(10)8-9/h1,3-4,6-8H,5H2.
What are the key properties of 6-ethynyl-1H-indene?
6-ethynyl-1H-indene has a molecular weight of 140.18 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1H-indene is sourced from PubChem (CID 151725384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).