(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride

C18H19ClN4O2 — CID 154734947

IUPAC(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride
SMILESCN1C(=C/N=N/c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H/b17-12?,20-19+;
InChIKeyJVVULWCPWOSDLK-OXFDUFIYSA-N
MW358.83 g/mol
LogP5.37
Rot. Bonds3

About (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride

(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride (PubChem CID 154734947) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride.

Molecular Properties

Compound Name(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride
PubChem CID154734947
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride
SMILESCN1C(=C/N=N/c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21.Cl
InChIInChI=1S/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H/b17-12?,20-19+;
InChIKeyJVVULWCPWOSDLK-OXFDUFIYSA-N
XLogP5.37
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 59248268
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
1,3,3-trimethyl-2-[[(2-nitrophenoxy)-phenylphosphoryl]methylidene]indole
CID 71902193
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
(6E)-2-bromo-4-nitro-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 6536734
(3Z)-1-[(3-nitro-2-pyridinyl)sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
CID 167873569
(6E)-4-nitro-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 59427155
(6Z)-4-nitro-6-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexa-2,4-dien-1-one
CID 15434353
(4-ethoxyphenyl)-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]diazene
CID 3034442
3-nitro-4-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzenesulfonamide
CID 6303807
10-[(E)-(1,3,3-trimethylindol-2-ylidene)methyl]iminophenanthren-9-one
CID 101250838
2,6-dimethoxy-4-[[(2-nitrophenyl)diazenyl]methylidene]cyclohexa-2,5-dien-1-one
CID 59638937

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride?
The IUPAC name of (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride (CID 154734947) is (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride.
What is the SMILES notation for (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride?
The canonical SMILES for (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride is CN1C(=C/N=N/c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21.Cl.
What is the InChIKey of (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride?
The InChIKey is JVVULWCPWOSDLK-OXFDUFIYSA-N. The full InChI is InChI=1S/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H/b17-12?,20-19+;.
What are the key properties of (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride?
(2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-[(1,3,3-trimethylindol-2-ylidene)methyl]diazene;hydrochloride is sourced from PubChem (CID 154734947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).