(3Z)-3-benzylideneindole

C15H11N — CID 6509966

IUPAC(3Z)-3-benzylideneindole
SMILESC1=Nc2ccccc2/C1=C/c1ccccc1
InChIInChI=1S/C15H11N/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-11H/b13-10+
InChIKeyKUMBVBMNTHYPMF-JLHYYAGUSA-N
MW205.26 g/mol
LogP3.94
Rot. Bonds1

About (3Z)-3-benzylideneindole

(3Z)-3-benzylideneindole (PubChem CID 6509966) has the molecular formula C15H11N and a molecular weight of 205.26 g/mol. Its IUPAC name is (3Z)-3-benzylideneindole.

Molecular Properties

Compound Name(3Z)-3-benzylideneindole
PubChem CID6509966
Molecular FormulaC15H11N
Molecular Weight205.26 g/mol
Exact Mass205.09
IUPAC Name(3Z)-3-benzylideneindole
SMILESC1=Nc2ccccc2/C1=C/c1ccccc1
InChIInChI=1S/C15H11N/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-11H/b13-10+
InChIKeyKUMBVBMNTHYPMF-JLHYYAGUSA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.94
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 (3Z)-3-benzylideneindole?
The IUPAC name of (3Z)-3-benzylideneindole (CID 6509966) is (3Z)-3-benzylideneindole.
What is the SMILES notation for (3Z)-3-benzylideneindole?
The canonical SMILES for (3Z)-3-benzylideneindole is C1=Nc2ccccc2/C1=C/c1ccccc1.
What is the InChIKey of (3Z)-3-benzylideneindole?
The InChIKey is KUMBVBMNTHYPMF-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H11N/c1-2-6-12(7-3-1)10-13-11-16-15-9-5-4-8-14(13)15/h1-11H/b13-10+.
What are the key properties of (3Z)-3-benzylideneindole?
(3Z)-3-benzylideneindole has a molecular weight of 205.26 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylideneindole is sourced from PubChem (CID 6509966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).