(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

C19H21N3O — CID 3037173

IUPAC(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCOc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H21N3O/c1-19(2)16-7-5-6-8-17(16)22(3)18(19)13-20-21-14-9-11-15(23-4)12-10-14/h5-13H,1-4H3/b18-13+,21-20+
InChIKeyUDYOHMGOZUXHFZ-KXNKKEQVSA-N
MW307.40 g/mol
LogP5.05
Rot. Bonds3

About (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene

(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (PubChem CID 3037173) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
PubChem CID3037173
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
SMILESCOc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1
InChIInChI=1S/C19H21N3O/c1-19(2)16-7-5-6-8-17(16)22(3)18(19)13-20-21-14-9-11-15(23-4)12-10-14/h5-13H,1-4H3/b18-13+,21-20+
InChIKeyUDYOHMGOZUXHFZ-KXNKKEQVSA-N
XLogP5.05
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The IUPAC name of (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene (CID 3037173) is (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene.
What is the SMILES notation for (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The canonical SMILES for (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is COc1ccc(/N=N/C=C2/N(C)c3ccccc3C2(C)C)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
The InChIKey is UDYOHMGOZUXHFZ-KXNKKEQVSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2)16-7-5-6-8-17(16)22(3)18(19)13-20-21-14-9-11-15(23-4)12-10-14/h5-13H,1-4H3/b18-13+,21-20+.
What are the key properties of (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene?
(4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene has a molecular weight of 307.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene is sourced from PubChem (CID 3037173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).