4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline

C17H16N2 — CID 6435301

IUPAC4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2/c1-19(2)15-9-7-13(8-10-15)11-14-12-18-17-6-4-3-5-16(14)17/h3-12H,1-2H3/b14-11+
InChIKeyYSSVLUSGKRKKOV-SDNWHVSQSA-N
MW248.33 g/mol
LogP4.01
Rot. Bonds2

About 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline

4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline (PubChem CID 6435301) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline
PubChem CID6435301
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C2\C=Nc3ccccc32)cc1
InChIInChI=1S/C17H16N2/c1-19(2)15-9-7-13(8-10-15)11-14-12-18-17-6-4-3-5-16(14)17/h3-12H,1-2H3/b14-11+
InChIKeyYSSVLUSGKRKKOV-SDNWHVSQSA-N
XLogP4.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline (CID 6435301) is 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C2\C=Nc3ccccc32)cc1.
What is the InChIKey of 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline?
The InChIKey is YSSVLUSGKRKKOV-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H16N2/c1-19(2)15-9-7-13(8-10-15)11-14-12-18-17-6-4-3-5-16(14)17/h3-12H,1-2H3/b14-11+.
What are the key properties of 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline?
4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline has a molecular weight of 248.33 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-indol-3-ylidenemethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6435301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).