N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide

C12H13NO2 — CID 82158256

IUPACN,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-7-3-4-8-9(5-7)11(14)6-10(8)12(15)13-2/h3-5,10H,6H2,1-2H3,(H,13,15)
InChIKeyLXCICCFRXBCYMP-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.41
Rot. Bonds1

About N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide

N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 82158256) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID82158256
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(C)ccc21
InChIInChI=1S/C12H13NO2/c1-7-3-4-8-9(5-7)11(14)6-10(8)12(15)13-2/h3-5,10H,6H2,1-2H3,(H,13,15)
InChIKeyLXCICCFRXBCYMP-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 82158256) is N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide is CNC(=O)C1CC(=O)c2cc(C)ccc21.
What is the InChIKey of N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is LXCICCFRXBCYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-3-4-8-9(5-7)11(14)6-10(8)12(15)13-2/h3-5,10H,6H2,1-2H3,(H,13,15).
What are the key properties of N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide?
N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 203.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 82158256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).