2-diazo-3-(4-methoxyphenyl)iminoinden-1-one

C16H11N3O2 — CID 134883406

IUPAC2-diazo-3-(4-methoxyphenyl)iminoinden-1-one
SMILESCOc1ccc(/N=c2\c(=[N+]=[N-])c(=O)c3ccccc23)cc1
InChIInChI=1S/C16H11N3O2/c1-21-11-8-6-10(7-9-11)18-14-12-4-2-3-5-13(12)16(20)15(14)19-17/h2-9H,1H3/b18-14-
InChIKeyLGLRRIQYIKKPED-JXAWBTAJSA-N
MW277.28 g/mol
LogP1.45
Rot. Bonds2

About 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one

2-diazo-3-(4-methoxyphenyl)iminoinden-1-one (PubChem CID 134883406) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one.

Molecular Properties

Compound Name2-diazo-3-(4-methoxyphenyl)iminoinden-1-one
PubChem CID134883406
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-diazo-3-(4-methoxyphenyl)iminoinden-1-one
SMILESCOc1ccc(/N=c2\c(=[N+]=[N-])c(=O)c3ccccc23)cc1
InChIInChI=1S/C16H11N3O2/c1-21-11-8-6-10(7-9-11)18-14-12-4-2-3-5-13(12)16(20)15(14)19-17/h2-9H,1H3/b18-14-
InChIKeyLGLRRIQYIKKPED-JXAWBTAJSA-N
XLogP1.45
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-diazo-N-(4-methoxyphenyl)cyclohex-2-en-1-imine
CID 57029803
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CID 12729570
4-azido-N-(4-methoxyphenyl)aniline
CID 18432095
[[(4-methoxyphenyl)diazenyl]-phenyldiazenylazaniumylidene]azanide
CID 142763484
N-(4-methoxyphenyl)-2,2,2-triphenylethanimine
CID 10872538
(4-methoxyphenyl)-methyldiazene
CID 20589170
1,4-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173452430
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
(2S)-2-(4-methoxyphenyl)-3-phenyliminoinden-1-one
CID 124542757
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
3-(4-bromophenyl)imino-2-(4-methoxyphenyl)inden-1-one
CID 2847560

Frequently Asked Questions

What is the IUPAC name of 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one?
The IUPAC name of 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one (CID 134883406) is 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one.
What is the SMILES notation for 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one?
The canonical SMILES for 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one is COc1ccc(/N=c2\c(=[N+]=[N-])c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one?
The InChIKey is LGLRRIQYIKKPED-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-21-11-8-6-10(7-9-11)18-14-12-4-2-3-5-13(12)16(20)15(14)19-17/h2-9H,1H3/b18-14-.
What are the key properties of 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one?
2-diazo-3-(4-methoxyphenyl)iminoinden-1-one has a molecular weight of 277.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-3-(4-methoxyphenyl)iminoinden-1-one is sourced from PubChem (CID 134883406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).