4,7-dihydro-1H-indole;3H-indole

C16H16N2 — CID 165098616

IUPAC4,7-dihydro-1H-indole;3H-indole
SMILESC1=CCc2[nH]ccc2C1.C1=Nc2ccccc2C1
InChIInChI=1S/C8H9N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,5-6,9H,3-4H2;1-4,6H,5H2
InChIKeyXXYZKFGHTONLAV-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.61
Rot. Bonds

About 4,7-dihydro-1H-indole;3H-indole

4,7-dihydro-1H-indole;3H-indole (PubChem CID 165098616) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4,7-dihydro-1H-indole;3H-indole.

Molecular Properties

Compound Name4,7-dihydro-1H-indole;3H-indole
PubChem CID165098616
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4,7-dihydro-1H-indole;3H-indole
SMILESC1=CCc2[nH]ccc2C1.C1=Nc2ccccc2C1
InChIInChI=1S/C8H9N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,5-6,9H,3-4H2;1-4,6H,5H2
InChIKeyXXYZKFGHTONLAV-UHFFFAOYSA-N
XLogP3.61
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
CID 160566551
(5Z)-4,7,8,9-tetrahydro-1H-pyrrolo[2,3-c]azocine
CID 177251607
4,4-dideuterio-3H-quinoline
CID 175978097
5-[2-(4-fluorophenyl)ethyl]-3H-indole
CID 58480633
7-iodo-3H-indole
CID 156577348
4-iodo-3H-indole
CID 147963478
2,3-dihydro-1H-indene;1H-indene;3H-indole;1,2,2-trimethyl-1,3-dihydroisoindol-2-ium
CID 157380379
5-(2-phenylpropyl)-3H-indole
CID 58480656
5H-[1]benzofuro[3,2-d][3]benzazepine
CID 155818956
1,4-dihydronaphthalene;1,2,3,4-tetrahydronaphthalene
CID 144945752
5-(4-fluorophenoxy)-3H-indole
CID 158181803
1,3-benzodioxole;2,3-dihydro-1-benzofuran;1H-indene;3H-indole;quinoline
CID 159271279

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-indole;3H-indole?
The IUPAC name of 4,7-dihydro-1H-indole;3H-indole (CID 165098616) is 4,7-dihydro-1H-indole;3H-indole.
What is the SMILES notation for 4,7-dihydro-1H-indole;3H-indole?
The canonical SMILES for 4,7-dihydro-1H-indole;3H-indole is C1=CCc2[nH]ccc2C1.C1=Nc2ccccc2C1.
What is the InChIKey of 4,7-dihydro-1H-indole;3H-indole?
The InChIKey is XXYZKFGHTONLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C8H7N/c2*1-2-4-8-7(3-1)5-6-9-8/h1-2,5-6,9H,3-4H2;1-4,6H,5H2.
What are the key properties of 4,7-dihydro-1H-indole;3H-indole?
4,7-dihydro-1H-indole;3H-indole has a molecular weight of 236.32 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-indole;3H-indole is sourced from PubChem (CID 165098616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).