2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide

C13H16N4O2 — CID 58811210

IUPAC2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide
SMILESCC(=O)c1cc2cc(N(C)CC(=O)NN)ccc2[nH]1
InChIInChI=1S/C13H16N4O2/c1-8(18)12-6-9-5-10(3-4-11(9)15-12)17(2)7-13(19)16-14/h3-6,15H,7,14H2,1-2H3,(H,16,19)
InChIKeyPSVIDRYZRXZQKI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds4

About 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide

2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide (PubChem CID 58811210) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide.

Molecular Properties

Compound Name2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide
PubChem CID58811210
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide
SMILESCC(=O)c1cc2cc(N(C)CC(=O)NN)ccc2[nH]1
InChIInChI=1S/C13H16N4O2/c1-8(18)12-6-9-5-10(3-4-11(9)15-12)17(2)7-13(19)16-14/h3-6,15H,7,14H2,1-2H3,(H,16,19)
InChIKeyPSVIDRYZRXZQKI-UHFFFAOYSA-N
XLogP0.80
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-N-methylanilino)acetohydrazide
CID 63568860
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
2-(N,3,5-trimethylanilino)acetohydrazide
CID 63583846
2-[methyl-(2-oxo-1H-quinolin-6-yl)amino]acetic acid
CID 117099443
N-(2,5-diacetyl-1H-indol-6-yl)-2-(dimethylamino)acetamide
CID 90083485
5-hydroxy-1H-indole-2-carbohydrazide
CID 10877952
2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
CID 104528378
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 63117755
5-N,5-N-dimethyl-2-N-propyl-1H-indole-2,5-dicarboxamide
CID 159082495
N-(2-acetylphenyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593322
N-(2-acetamidoethyl)-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 25337456
5-[(3-ethoxy-3-oxopropyl)-propylamino]-1H-indole-2-carboxylic acid
CID 83972164

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide?
The IUPAC name of 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide (CID 58811210) is 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide.
What is the SMILES notation for 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide?
The canonical SMILES for 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide is CC(=O)c1cc2cc(N(C)CC(=O)NN)ccc2[nH]1.
What is the InChIKey of 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide?
The InChIKey is PSVIDRYZRXZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(18)12-6-9-5-10(3-4-11(9)15-12)17(2)7-13(19)16-14/h3-6,15H,7,14H2,1-2H3,(H,16,19).
What are the key properties of 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide?
2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetyl-1H-indol-5-yl)-methylamino]acetohydrazide is sourced from PubChem (CID 58811210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).