2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene

C17H17N3 — CID 123789337

IUPAC2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene
SMILESC=Cc1ccc(C/N=N/N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-2-14-7-9-15(10-8-14)13-18-19-20-12-11-16-5-3-4-6-17(16)20/h2-10H,1,11-13H2/b19-18+
InChIKeyQKFWTTVNBDJUAT-VHEBQXMUSA-N
MW263.34 g/mol
LogP4.26
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene

2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene (PubChem CID 123789337) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene
PubChem CID123789337
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene
SMILESC=Cc1ccc(C/N=N/N2CCc3ccccc32)cc1
InChIInChI=1S/C17H17N3/c1-2-14-7-9-15(10-8-14)13-18-19-20-12-11-16-5-3-4-6-17(16)20/h2-10H,1,11-13H2/b19-18+
InChIKeyQKFWTTVNBDJUAT-VHEBQXMUSA-N
XLogP4.26
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(4-ethenylphenyl)ethyl]urea
CID 167969216
1-azido-2,3-dihydroindole
CID 54253401
2,3-dihydroindol-1-amine;dihydrochloride
CID 172716948
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylmethanimine
CID 12914611
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
4-ethenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]benzenesulfonamide;hydrochloride
CID 11452522
1-ethenyl-4-(isothiocyanatomethyl)benzene
CID 101237387
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
3-amino-1-[2,3-bis(ethenyl)-4,5-dihydro-1-benzazepin-1-yl]propan-1-one
CID 168879440
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
1-phenyl-2-(trifluoromethyl)-3,4-dihydrocinnoline
CID 68629558
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene?
The IUPAC name of 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene (CID 123789337) is 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene is C=Cc1ccc(C/N=N/N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene?
The InChIKey is QKFWTTVNBDJUAT-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-14-7-9-15(10-8-14)13-18-19-20-12-11-16-5-3-4-6-17(16)20/h2-10H,1,11-13H2/b19-18+.
What are the key properties of 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene?
2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene has a molecular weight of 263.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(4-ethenylphenyl)methyl]diazene is sourced from PubChem (CID 123789337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).