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

C12H17N3O — CID 83020755

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyOAQRADAGADGYJV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.18
Rot. Bonds3

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

2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide (PubChem CID 83020755) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
PubChem CID83020755
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
SMILESCN(C)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3,(H,14,16)
InChIKeyOAQRADAGADGYJV-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.18
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-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 80573453
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
2-(2,3-dihydro-1H-indol-3-yl)-N-propan-2-ylsulfonylacetamide
CID 103307769
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
N-cyclohexyl-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573809
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
N-(1-cyclopentylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573407

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide (CID 83020755) is 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide is CN(C)NC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide?
The InChIKey is OAQRADAGADGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)14-12(16)7-9-8-13-11-6-4-3-5-10(9)11/h3-6,9,13H,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide?
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide has a molecular weight of 219.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 83020755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).