2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide

C12H17N3O — CID 114456689

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C12H17N3O/c1-14(2)11(16)8-15-7-6-9-4-3-5-10(13)12(9)15/h3-5H,6-8,13H2,1-2H3
InChIKeyZCNIETXHNFERGH-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.72
Rot. Bonds2

About 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide (PubChem CID 114456689) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
PubChem CID114456689
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C12H17N3O/c1-14(2)11(16)8-15-7-6-9-4-3-5-10(13)12(9)15/h3-5H,6-8,13H2,1-2H3
InChIKeyZCNIETXHNFERGH-UHFFFAOYSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114456129
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 114456579

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide (CID 114456689) is 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1CCc2cccc(N)c21.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide?
The InChIKey is ZCNIETXHNFERGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14(2)11(16)8-15-7-6-9-4-3-5-10(13)12(9)15/h3-5H,6-8,13H2,1-2H3.
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide has a molecular weight of 219.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 114456689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).