1H-indene

C9H8 — CID 7219

IUPAC1H-indene
SMILESC1=Cc2ccccc2C1
InChIInChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKeyYBYIRNPNPLQARY-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.26
Rot. Bonds

About 1H-indene

1H-indene (PubChem CID 7219) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1H-indene.

Molecular Properties

Compound Name1H-indene
PubChem CID7219
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name1H-indene
SMILESC1=Cc2ccccc2C1
InChIInChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2
InChIKeyYBYIRNPNPLQARY-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Naphthalene
CID 931
Biphenyl
CID 7095
Toluene
CID 1140
Fluorene
CID 6853
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Xylene
CID 7809
Tetralin
CID 8404
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247

Frequently Asked Questions

What is the IUPAC name of 1H-indene?
The IUPAC name of 1H-indene (CID 7219) is 1H-indene.
What is the SMILES notation for 1H-indene?
The canonical SMILES for 1H-indene is C1=Cc2ccccc2C1.
What is the InChIKey of 1H-indene?
The InChIKey is YBYIRNPNPLQARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-6H,7H2.
What are the key properties of 1H-indene?
1H-indene has a molecular weight of 116.16 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene is sourced from PubChem (CID 7219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).