acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane

C14H20BrN3O2 — CID 144633535

IUPACacetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane
SMILESCC.CC=O.CNNC(=O)n1ccc2cc(Br)ccc21
InChIInChI=1S/C10H10BrN3O.C2H4O.C2H6/c1-12-13-10(15)14-5-4-7-6-8(11)2-3-9(7)14;1-2-3;1-2/h2-6,12H,1H3,(H,13,15);2H,1H3;1-2H3
InChIKeyOYCGPVDZMQZYKP-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.33
Rot. Bonds1

About acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane

acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane (PubChem CID 144633535) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane.

Molecular Properties

Compound Nameacetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane
PubChem CID144633535
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Nameacetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane
SMILESCC.CC=O.CNNC(=O)n1ccc2cc(Br)ccc21
InChIInChI=1S/C10H10BrN3O.C2H4O.C2H6/c1-12-13-10(15)14-5-4-7-6-8(11)2-3-9(7)14;1-2-3;1-2/h2-6,12H,1H3,(H,13,15);2H,1H3;1-2H3
InChIKeyOYCGPVDZMQZYKP-UHFFFAOYSA-N
XLogP3.33
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane?
The IUPAC name of acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane (CID 144633535) is acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane.
What is the SMILES notation for acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane?
The canonical SMILES for acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane is CC.CC=O.CNNC(=O)n1ccc2cc(Br)ccc21.
What is the InChIKey of acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane?
The InChIKey is OYCGPVDZMQZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O.C2H4O.C2H6/c1-12-13-10(15)14-5-4-7-6-8(11)2-3-9(7)14;1-2-3;1-2/h2-6,12H,1H3,(H,13,15);2H,1H3;1-2H3.
What are the key properties of acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane?
acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane has a molecular weight of 342.24 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;5-bromo-N'-methylindole-1-carbohydrazide;ethane is sourced from PubChem (CID 144633535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).