4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one

C11H13NO3 — CID 15721806

IUPAC4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(N)c1O)CC(C)C2=O
InChIInChI=1S/C11H13NO3/c1-5-3-6-7(10(5)13)4-8(15-2)11(14)9(6)12/h4-5,14H,3,12H2,1-2H3
InChIKeyCJBTUHOKWZYBLW-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.36
Rot. Bonds1

About 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one

4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one (PubChem CID 15721806) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
PubChem CID15721806
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one
SMILESCOc1cc2c(c(N)c1O)CC(C)C2=O
InChIInChI=1S/C11H13NO3/c1-5-3-6-7(10(5)13)4-8(15-2)11(14)9(6)12/h4-5,14H,3,12H2,1-2H3
InChIKeyCJBTUHOKWZYBLW-UHFFFAOYSA-N
XLogP1.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 178076252
(2S)-4-chloro-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 146510847
1-amino-3-methoxy-9H-fluoren-2-ol
CID 141238981
5-tert-butyl-6-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 169128153
5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 605781
(3S)-5,6-dimethoxy-3-methyl-2,3-dihydroinden-1-one
CID 18445644
(2-methyl-1-oxo-2,3-dihydroinden-4-yl) acetate
CID 22173228
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
(4R,5R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 139193326
4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 72785168
8-amino-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 159930923
6-tert-butyl-4-(4-tert-butylphenyl)-5-methoxy-2-methyl-2,3-dihydroinden-1-one
CID 71230812

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one (CID 15721806) is 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one is COc1cc2c(c(N)c1O)CC(C)C2=O.
What is the InChIKey of 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is CJBTUHOKWZYBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-5-3-6-7(10(5)13)4-8(15-2)11(14)9(6)12/h4-5,14H,3,12H2,1-2H3.
What are the key properties of 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one?
4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 207.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-methoxy-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 15721806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).