2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide

C13H13NO2 — CID 98521083

IUPAC2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)[C@H]1C=Cc2ccccc21
InChIInChI=1S/C13H13NO2/c1-14(2)13(16)12(15)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3/t11-/m0/s1
InChIKeyPTSDDMBPAUOIBG-NSHDSACASA-N
MW215.25 g/mol
LogP1.45
Rot. Bonds2

About 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide

2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 98521083) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID98521083
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)[C@H]1C=Cc2ccccc21
InChIInChI=1S/C13H13NO2/c1-14(2)13(16)12(15)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3/t11-/m0/s1
InChIKeyPTSDDMBPAUOIBG-NSHDSACASA-N
XLogP1.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide (CID 98521083) is 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)[C@H]1C=Cc2ccccc21.
What is the InChIKey of 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is PTSDDMBPAUOIBG-NSHDSACASA-N. The full InChI is InChI=1S/C13H13NO2/c1-14(2)13(16)12(15)11-8-7-9-5-3-4-6-10(9)11/h3-8,11H,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide?
2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 215.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 98521083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).