5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C12H13NO3 — CID 82158652

IUPAC5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(OC)ccc21
InChIInChI=1S/C12H13NO3/c1-13-12(15)10-6-11(14)9-5-7(16-2)3-4-8(9)10/h3-5,10H,6H2,1-2H3,(H,13,15)
InChIKeyUPSXTQZNCJTTJU-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.11
Rot. Bonds2

About 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 82158652) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID82158652
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCNC(=O)C1CC(=O)c2cc(OC)ccc21
InChIInChI=1S/C12H13NO3/c1-13-12(15)10-6-11(14)9-5-7(16-2)3-4-8(9)10/h3-5,10H,6H2,1-2H3,(H,13,15)
InChIKeyUPSXTQZNCJTTJU-UHFFFAOYSA-N
XLogP1.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82158256
5,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159610
methyl 6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
CID 146174124
4,6-dimethoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
CID 82159611
3-bromo-6-methoxy-2,3-dihydroinden-1-one
CID 23250652
3,4-dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 45101397
methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
7-methoxy-4-(2-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 12623955
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
3-methoxy-9,10-dihydrophenanthrene-9-carboxamide
CID 154254625
(3S)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 68614064

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 82158652) is 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is CNC(=O)C1CC(=O)c2cc(OC)ccc21.
What is the InChIKey of 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is UPSXTQZNCJTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-13-12(15)10-6-11(14)9-5-7(16-2)3-4-8(9)10/h3-5,10H,6H2,1-2H3,(H,13,15).
What are the key properties of 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 82158652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).