3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium

C15H12N3O+ — CID 174756583

IUPAC3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
SMILESN#[N+]c1cccc(CN2C(=O)Cc3ccccc32)c1
InChIInChI=1S/C15H12N3O/c16-17-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-15(18)19/h1-8H,9-10H2/q+1
InChIKeyCYIYBSIJJCNNPE-UHFFFAOYSA-N
MW250.28 g/mol
LogP3.26
Rot. Bonds2

About 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium

3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium (PubChem CID 174756583) has the molecular formula C15H12N3O+ and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium.

Molecular Properties

Compound Name3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
PubChem CID174756583
Molecular FormulaC15H12N3O+
Molecular Weight250.28 g/mol
Exact Mass250.10
IUPAC Name3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
SMILESN#[N+]c1cccc(CN2C(=O)Cc3ccccc32)c1
InChIInChI=1S/C15H12N3O/c16-17-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-15(18)19/h1-8H,9-10H2/q+1
InChIKeyCYIYBSIJJCNNPE-UHFFFAOYSA-N
XLogP3.26
TPSA48.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
1-[(4-methylphenyl)methyl]-3H-indol-2-one
CID 82083873
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
1-[(4-propan-2-ylphenyl)methyl]-3H-indol-2-one
CID 82091764
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
1-[(4-chloro-3-nitrophenyl)methyl]-3H-indol-2-one
CID 43350321
1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
CID 43349697
1-benzyl-2-oxo-3H-indole-5-carboxamide
CID 122479775
2-(2-oxo-3H-indol-1-yl)acetamide
CID 840219
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
1-[2-amino-2-(2,6-difluorophenyl)ethyl]-3H-indol-2-one
CID 18071013

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium?
The IUPAC name of 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium (CID 174756583) is 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium.
What is the SMILES notation for 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium?
The canonical SMILES for 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium is N#[N+]c1cccc(CN2C(=O)Cc3ccccc32)c1.
What is the InChIKey of 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium?
The InChIKey is CYIYBSIJJCNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O/c16-17-13-6-3-4-11(8-13)10-18-14-7-2-1-5-12(14)9-15(18)19/h1-8H,9-10H2/q+1.
What are the key properties of 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium?
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium has a molecular weight of 250.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium is sourced from PubChem (CID 174756583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).