(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene

C15H14N4O2 — CID 101076082

IUPAC(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
SMILESCN1CCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C15H14N4O2/c1-18-9-8-11-10-13(4-7-15(11)18)17-16-12-2-5-14(6-3-12)19(20)21/h2-7,10H,8-9H2,1H3/b17-16+
InChIKeyJNHNJZGTFGEPGY-WUKNDPDISA-N
MW282.30 g/mol
LogP4.00
Rot. Bonds3

About (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene

(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene (PubChem CID 101076082) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
PubChem CID101076082
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene
SMILESCN1CCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21
InChIInChI=1S/C15H14N4O2/c1-18-9-8-11-10-13(4-7-15(11)18)17-16-12-2-5-14(6-3-12)19(20)21/h2-7,10H,8-9H2,1H3/b17-16+
InChIKeyJNHNJZGTFGEPGY-WUKNDPDISA-N
XLogP4.00
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[5-[(4-nitrophenyl)diazenyl]-2,3-dihydroindol-1-yl]propanoate
CID 2818439
(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
CID 101076081
1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl-(4-nitrophenyl)diazene
CID 599155
5,11,17,23,29-pentakis[(4-nitrophenyl)diazenyl]hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
CID 177492854
19-[(4-nitrophenyl)diazenyl]-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol
CID 177442985
methyl-(4-nitrophenyl)diazene
CID 20760343
[3-methyl-4-(4-octylpiperazin-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 101069106
(4-nitrophenyl)-[(5S)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]-5'-yl]diazene
CID 7536166
(4-nitrophenyl)-phenyldiazene
CID 17222
[4-(azocan-1-yl)phenyl]-(4-nitrophenyl)diazene
CID 5152218
1-methylsulfonyl-5-nitro-2,3-dihydroindole
CID 2918213
1-methyl-2,3-dihydroindole-5-sulfonic acid
CID 57117417

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene?
The IUPAC name of (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene (CID 101076082) is (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene.
What is the SMILES notation for (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene?
The canonical SMILES for (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene is CN1CCc2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc21.
What is the InChIKey of (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene?
The InChIKey is JNHNJZGTFGEPGY-WUKNDPDISA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18-9-8-11-10-13(4-7-15(11)18)17-16-12-2-5-14(6-3-12)19(20)21/h2-7,10H,8-9H2,1H3/b17-16+.
What are the key properties of (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene?
(1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene has a molecular weight of 282.30 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,3-dihydroindol-5-yl)-(4-nitrophenyl)diazene is sourced from PubChem (CID 101076082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).