6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one

C11H13NO2 — CID 67555902

IUPAC6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
SMILESCNC1Cc2ccc(OC)cc2C1=O
InChIInChI=1S/C11H13NO2/c1-12-10-5-7-3-4-8(14-2)6-9(7)11(10)13/h3-4,6,10,12H,5H2,1-2H3
InChIKeyNKOMHEPLSUKGCD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.02
Rot. Bonds2

About 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one

6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one (PubChem CID 67555902) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
PubChem CID67555902
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
SMILESCNC1Cc2ccc(OC)cc2C1=O
InChIInChI=1S/C11H13NO2/c1-12-10-5-7-3-4-8(14-2)6-9(7)11(10)13/h3-4,6,10,12H,5H2,1-2H3
InChIKeyNKOMHEPLSUKGCD-UHFFFAOYSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(5-methoxy-3-oxo-1,2-dihydroinden-2-yl)carbamate
CID 66741339
methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
CID 90078933
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(2S)-2-but-2-enyl-6-methoxy-2,3-dihydroinden-1-one
CID 67713869
(2R)-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334379
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
CID 15521808
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
CID 79539176
2-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 10845865
methyl 3-methoxy-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
CID 22989937

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one (CID 67555902) is 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one is CNC1Cc2ccc(OC)cc2C1=O.
What is the InChIKey of 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one?
The InChIKey is NKOMHEPLSUKGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-10-5-7-3-4-8(14-2)6-9(7)11(10)13/h3-4,6,10,12H,5H2,1-2H3.
What are the key properties of 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one?
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one is sourced from PubChem (CID 67555902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).