N'-acetyl-2-indol-1-ylacetohydrazide

C12H13N3O2 — CID 4587603

IUPACN'-acetyl-2-indol-1-ylacetohydrazide
SMILESCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C12H13N3O2/c1-9(16)13-14-12(17)8-15-7-6-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJSVRQMXJZXZDDU-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.81
Rot. Bonds2

About N'-acetyl-2-indol-1-ylacetohydrazide

N'-acetyl-2-indol-1-ylacetohydrazide (PubChem CID 4587603) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-acetyl-2-indol-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-indol-1-ylacetohydrazide
PubChem CID4587603
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN'-acetyl-2-indol-1-ylacetohydrazide
SMILESCC(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C12H13N3O2/c1-9(16)13-14-12(17)8-15-7-6-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,13,16)(H,14,17)
InChIKeyJSVRQMXJZXZDDU-UHFFFAOYSA-N
XLogP0.81
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
N'-(2-indol-1-ylacetyl)pyridine-4-carbohydrazide
CID 5116286
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide
CID 17080362
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 17080326
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[2-(2-indol-1-ylacetyl)hydrazinyl]-4-oxobutanamide
CID 7316987
2-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-indol-1-ylacetohydrazide?
The IUPAC name of N'-acetyl-2-indol-1-ylacetohydrazide (CID 4587603) is N'-acetyl-2-indol-1-ylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-indol-1-ylacetohydrazide?
The canonical SMILES for N'-acetyl-2-indol-1-ylacetohydrazide is CC(=O)NNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of N'-acetyl-2-indol-1-ylacetohydrazide?
The InChIKey is JSVRQMXJZXZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9(16)13-14-12(17)8-15-7-6-10-4-2-3-5-11(10)15/h2-7H,8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-acetyl-2-indol-1-ylacetohydrazide?
N'-acetyl-2-indol-1-ylacetohydrazide has a molecular weight of 231.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-indol-1-ylacetohydrazide is sourced from PubChem (CID 4587603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).