2-phenyl-4,5,6,7-tetrahydro-1H-indole

C14H15N — CID 4182798

IUPAC2-phenyl-4,5,6,7-tetrahydro-1H-indole
SMILESc1ccc(-c2cc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C14H15N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-3,6-7,10,15H,4-5,8-9H2
InChIKeyLUAFUCCMSGFWSP-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.56
Rot. Bonds1

About 2-phenyl-4,5,6,7-tetrahydro-1H-indole

2-phenyl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 4182798) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-phenyl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-phenyl-4,5,6,7-tetrahydro-1H-indole
PubChem CID4182798
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-phenyl-4,5,6,7-tetrahydro-1H-indole
SMILESc1ccc(-c2cc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C14H15N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-3,6-7,10,15H,4-5,8-9H2
InChIKeyLUAFUCCMSGFWSP-UHFFFAOYSA-N
XLogP3.56
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-phenyl-4,5,6,7-tetrahydro-1H-indole (CID 4182798) is 2-phenyl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-phenyl-4,5,6,7-tetrahydro-1H-indole is c1ccc(-c2cc3c([nH]2)CCCC3)cc1.
What is the InChIKey of 2-phenyl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is LUAFUCCMSGFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-3,6-7,10,15H,4-5,8-9H2.
What are the key properties of 2-phenyl-4,5,6,7-tetrahydro-1H-indole?
2-phenyl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 197.28 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 4182798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).