1H-indene;1H-isoindole

C17H15N — CID 159523195

IUPAC1H-indene;1H-isoindole
SMILESC1=Cc2ccccc2C1.C1=NCc2ccccc21
InChIInChI=1S/C9H8.C8H7N/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1/h1-6H,7H2;1-5H,6H2
InChIKeyMCBJBMSTDHBMIV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.88
Rot. Bonds

About 1H-indene;1H-isoindole

1H-indene;1H-isoindole (PubChem CID 159523195) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1H-indene;1H-isoindole.

Molecular Properties

Compound Name1H-indene;1H-isoindole
PubChem CID159523195
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1H-indene;1H-isoindole
SMILESC1=Cc2ccccc2C1.C1=NCc2ccccc21
InChIInChI=1S/C9H8.C8H7N/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1/h1-6H,7H2;1-5H,6H2
InChIKeyMCBJBMSTDHBMIV-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1H-indene;1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-isoindole;molecular hydrogen
CID 178015184
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
copper;1H-indene
CID 175216856
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
1,4-diphenylbenzene;1H-indene
CID 156634731
azulene;1H-indene
CID 160524105
1H-indene;pyrazine
CID 175286554
CID 67393892
CID 67393892
1H-indene;phenol
CID 22398273
2,2-dimethylpropane;1H-indene
CID 91444603
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528

Frequently Asked Questions

What is the IUPAC name of 1H-indene;1H-isoindole?
The IUPAC name of 1H-indene;1H-isoindole (CID 159523195) is 1H-indene;1H-isoindole.
What is the SMILES notation for 1H-indene;1H-isoindole?
The canonical SMILES for 1H-indene;1H-isoindole is C1=Cc2ccccc2C1.C1=NCc2ccccc21.
What is the InChIKey of 1H-indene;1H-isoindole?
The InChIKey is MCBJBMSTDHBMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H7N/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1/h1-6H,7H2;1-5H,6H2.
What are the key properties of 1H-indene;1H-isoindole?
1H-indene;1H-isoindole has a molecular weight of 233.31 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;1H-isoindole is sourced from PubChem (CID 159523195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).