2-(diethylcarbamoyl)-1H-indole-3-diazonium

C13H15N4O+ — CID 10752674

IUPAC2-(diethylcarbamoyl)-1H-indole-3-diazonium
SMILESCCN(CC)C(=O)c1[nH]c2ccccc2c1[N+]#N
InChIInChI=1S/C13H14N4O/c1-3-17(4-2)13(18)12-11(16-14)9-7-5-6-8-10(9)15-12/h5-8H,3-4H2,1-2H3/p+1
InChIKeyXTXJHJJRSCZWIF-UHFFFAOYSA-O
MW243.29 g/mol
LogP3.13
Rot. Bonds3

About 2-(diethylcarbamoyl)-1H-indole-3-diazonium

2-(diethylcarbamoyl)-1H-indole-3-diazonium (PubChem CID 10752674) has the molecular formula C13H15N4O+ and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(diethylcarbamoyl)-1H-indole-3-diazonium.

Molecular Properties

Compound Name2-(diethylcarbamoyl)-1H-indole-3-diazonium
PubChem CID10752674
Molecular FormulaC13H15N4O+
Molecular Weight243.29 g/mol
Exact Mass243.12
IUPAC Name2-(diethylcarbamoyl)-1H-indole-3-diazonium
SMILESCCN(CC)C(=O)c1[nH]c2ccccc2c1[N+]#N
InChIInChI=1S/C13H14N4O/c1-3-17(4-2)13(18)12-11(16-14)9-7-5-6-8-10(9)15-12/h5-8H,3-4H2,1-2H3/p+1
InChIKeyXTXJHJJRSCZWIF-UHFFFAOYSA-O
XLogP3.13
TPSA64.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
CID 54723895
2-hydroxy-1H-indole-3-diazonium
CID 555023
N,N-diethyl-4H-furo[3,2-b]indole-2-carboxamide
CID 12521839
3-diazonio-1H-indol-2-olate
CID 555022
2-[(3-bromo-1H-indole-2-carbonyl)-propylamino]acetic acid
CID 119205142
N-ethyl-N-(3-hydroxypropyl)-2-methyl-1H-indole-3-carboxamide
CID 115771939
N-ethyl-N-methyl-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carboxamide
CID 59097854
9H-carbazole;propanoic acid
CID 68841226
3-[amino(butanoyl)amino]-1H-indole-2-carboxylic acid
CID 70566022
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
9H-carbazol-4-yl N,N-diethylcarbamate
CID 165357789

Frequently Asked Questions

What is the IUPAC name of 2-(diethylcarbamoyl)-1H-indole-3-diazonium?
The IUPAC name of 2-(diethylcarbamoyl)-1H-indole-3-diazonium (CID 10752674) is 2-(diethylcarbamoyl)-1H-indole-3-diazonium.
What is the SMILES notation for 2-(diethylcarbamoyl)-1H-indole-3-diazonium?
The canonical SMILES for 2-(diethylcarbamoyl)-1H-indole-3-diazonium is CCN(CC)C(=O)c1[nH]c2ccccc2c1[N+]#N.
What is the InChIKey of 2-(diethylcarbamoyl)-1H-indole-3-diazonium?
The InChIKey is XTXJHJJRSCZWIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14N4O/c1-3-17(4-2)13(18)12-11(16-14)9-7-5-6-8-10(9)15-12/h5-8H,3-4H2,1-2H3/p+1.
What are the key properties of 2-(diethylcarbamoyl)-1H-indole-3-diazonium?
2-(diethylcarbamoyl)-1H-indole-3-diazonium has a molecular weight of 243.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylcarbamoyl)-1H-indole-3-diazonium is sourced from PubChem (CID 10752674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).