1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione

C19H17N3O2 — CID 137235388

IUPAC1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione
SMILESCN(C)N=Cc1c(C(=O)C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-22(2)20-12-15-14-10-6-7-11-16(14)21-17(15)19(24)18(23)13-8-4-3-5-9-13/h3-12,21H,1-2H3
InChIKeyNROKLKLXUDXTQA-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione

1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione (PubChem CID 137235388) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione
PubChem CID137235388
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione
SMILESCN(C)N=Cc1c(C(=O)C(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C19H17N3O2/c1-22(2)20-12-15-14-10-6-7-11-16(14)21-17(15)19(24)18(23)13-8-4-3-5-9-13/h3-12,21H,1-2H3
InChIKeyNROKLKLXUDXTQA-UHFFFAOYSA-N
XLogP3.13
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-ethenyl-1H-indol-2-yl)-phenylmethanone
CID 102499335
methyl 3-(hydroxyiminomethyl)-1H-indole-2-carboxylate
CID 135463087
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-phenylaniline
CID 135758920
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
[3-[(E)-(dimethylhydrazinylidene)methyl]indol-1-yl]-phenylmethanone
CID 14613421
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
benzoic acid;9H-carbazole
CID 162147282
1-[3-(dimethylamino)-1H-indol-2-yl]ethanone
CID 124705743
ethyl 3-[(diphenylhydrazinylidene)methyl]-5-ethoxy-1H-indole-2-carboxylate
CID 3589980
9H-carbazole;carbonic acid
CID 67577328
2-(3-formyl-1H-indol-2-yl)butanoic acid
CID 139949570

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione?
The IUPAC name of 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione (CID 137235388) is 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione?
The canonical SMILES for 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione is CN(C)N=Cc1c(C(=O)C(=O)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione?
The InChIKey is NROKLKLXUDXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-22(2)20-12-15-14-10-6-7-11-16(14)21-17(15)19(24)18(23)13-8-4-3-5-9-13/h3-12,21H,1-2H3.
What are the key properties of 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione?
1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione has a molecular weight of 319.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylhydrazinylidene)methyl]-1H-indol-2-yl]-2-phenylethane-1,2-dione is sourced from PubChem (CID 137235388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).