3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide

C13H16N2O — CID 56992949

IUPAC3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc2c(c1)NCC2
InChIInChI=1S/C13H16N2O/c1-15(2)13(16)6-4-10-3-5-11-7-8-14-12(11)9-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyRJFQBWLXZRTGRU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.76
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide

3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide (PubChem CID 56992949) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide
PubChem CID56992949
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide
SMILESCN(C)C(=O)C=Cc1ccc2c(c1)NCC2
InChIInChI=1S/C13H16N2O/c1-15(2)13(16)6-4-10-3-5-11-7-8-14-12(11)9-10/h3-6,9,14H,7-8H2,1-2H3
InChIKeyRJFQBWLXZRTGRU-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide?
The IUPAC name of 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide (CID 56992949) is 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide is CN(C)C(=O)C=Cc1ccc2c(c1)NCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide?
The InChIKey is RJFQBWLXZRTGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15(2)13(16)6-4-10-3-5-11-7-8-14-12(11)9-10/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide?
3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide has a molecular weight of 216.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-6-yl)-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 56992949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).