4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol

C11H15NO2 — CID 117283819

IUPAC4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCONCc1c(O)ccc2c1CCC2
InChIInChI=1S/C11H15NO2/c1-14-12-7-10-9-4-2-3-8(9)5-6-11(10)13/h5-6,12-13H,2-4,7H2,1H3
InChIKeyYJABORPRKAEFCB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.53
Rot. Bonds3

About 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol

4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 117283819) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID117283819
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCONCc1c(O)ccc2c1CCC2
InChIInChI=1S/C11H15NO2/c1-14-12-7-10-9-4-2-3-8(9)5-6-11(10)13/h5-6,12-13H,2-4,7H2,1H3
InChIKeyYJABORPRKAEFCB-UHFFFAOYSA-N
XLogP1.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
CID 117296336
N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 54347054
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111772958
N-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]but-2-ynamide
CID 146083715
4-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117295070
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111772003
2-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 142761664
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111772898
4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
4-bromo-3-[(methoxyamino)methyl]benzene-1,2-diol
CID 117372654
1-(3-ethoxypropyl)-3-ethyl-2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]guanidine;hydroiodide
CID 111773603
1-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine
CID 111776586

Frequently Asked Questions

What is the IUPAC name of 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol (CID 117283819) is 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol is CONCc1c(O)ccc2c1CCC2.
What is the InChIKey of 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is YJABORPRKAEFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-14-12-7-10-9-4-2-3-8(9)5-6-11(10)13/h5-6,12-13H,2-4,7H2,1H3.
What are the key properties of 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol?
4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 193.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 117283819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).