1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole

C21H17N — CID 11335074

IUPAC1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole
SMILESCn1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H17N/c1-22-13-12-20-15-17(9-11-21(20)22)7-6-16-8-10-18-4-2-3-5-19(18)14-16/h2-15H,1H3/b7-6+
InChIKeyQBMGSMWMFSAZOI-VOTSOKGWSA-N
MW283.37 g/mol
LogP5.50
Rot. Bonds2

About 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole

1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole (PubChem CID 11335074) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole.

Molecular Properties

Compound Name1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole
PubChem CID11335074
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole
SMILESCn1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C21H17N/c1-22-13-12-20-15-17(9-11-21(20)22)7-6-16-8-10-18-4-2-3-5-19(18)14-16/h2-15H,1H3/b7-6+
InChIKeyQBMGSMWMFSAZOI-VOTSOKGWSA-N
XLogP5.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole?
The IUPAC name of 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole (CID 11335074) is 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole.
What is the SMILES notation for 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole?
The canonical SMILES for 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole is Cn1ccc2cc(/C=C/c3ccc4ccccc4c3)ccc21.
What is the InChIKey of 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole?
The InChIKey is QBMGSMWMFSAZOI-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H17N/c1-22-13-12-20-15-17(9-11-21(20)22)7-6-16-8-10-18-4-2-3-5-19(18)14-16/h2-15H,1H3/b7-6+.
What are the key properties of 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole?
1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole has a molecular weight of 283.37 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(E)-2-naphthalen-2-ylethenyl]indole is sourced from PubChem (CID 11335074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).