2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide

C13H17N3O — CID 116848099

IUPAC2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCC(C(=O)NN(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(13(17)15-16(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,1-3H3,(H,15,17)
InChIKeyYJAYWOHIUQAYHC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide

2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide (PubChem CID 116848099) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
PubChem CID116848099
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
SMILESCC(C(=O)NN(C)C)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-9(13(17)15-16(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,1-3H3,(H,15,17)
InChIKeyYJAYWOHIUQAYHC-UHFFFAOYSA-N
XLogP1.86
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide (CID 116848099) is 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide is CC(C(=O)NN(C)C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
The InChIKey is YJAYWOHIUQAYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(13(17)15-16(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9,14H,1-3H3,(H,15,17).
What are the key properties of 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide?
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide has a molecular weight of 231.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).