1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol

C17H18N2O3 — CID 73012810

IUPAC1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol
SMILESCON=C1CCc2cc(C(O)C(O)c3ccncc3)ccc21
InChIInChI=1S/C17H18N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10,16-17,20-21H,3,5H2,1H3
InChIKeyCSJXMGWIFCRNGY-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.15
Rot. Bonds4

About 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol

1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol (PubChem CID 73012810) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol.

Molecular Properties

Compound Name1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol
PubChem CID73012810
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol
SMILESCON=C1CCc2cc(C(O)C(O)c3ccncc3)ccc21
InChIInChI=1S/C17H18N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10,16-17,20-21H,3,5H2,1H3
InChIKeyCSJXMGWIFCRNGY-UHFFFAOYSA-N
XLogP2.15
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-[(1Z)-1-methoxyimino-2,3-dihydroinden-5-yl]-2-pyridin-4-ylethane-1,2-diol
CID 86334503
1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-dione
CID 53420150
5-(3-bromofuran-2-yl)-N-methoxy-2,3-dihydroinden-1-imine
CID 86213594
(E)-3-(1-methoxyimino-2,3-dihydroinden-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 86595416
3-(1-methoxyimino-2,3-dihydroinden-5-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 173168875
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
CID 136592041
2-[hydroxy(pyridin-4-yl)methyl]-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 178159401
[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate
CID 76738695
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
5-[1,2-dihydroxy-3-(methylamino)propyl]-2,3-dihydroinden-1-one
CID 171858141
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-ylpropan-1-ol
CID 66461480
[(5-methoxy-2,3-dihydroinden-1-ylidene)amino] 3,4,5-trimethoxybenzoate
CID 2876981

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol?
The IUPAC name of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol (CID 73012810) is 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol.
What is the SMILES notation for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol?
The canonical SMILES for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol is CON=C1CCc2cc(C(O)C(O)c3ccncc3)ccc21.
What is the InChIKey of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol?
The InChIKey is CSJXMGWIFCRNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-19-15-5-3-12-10-13(2-4-14(12)15)17(21)16(20)11-6-8-18-9-7-11/h2,4,6-10,16-17,20-21H,3,5H2,1H3.
What are the key properties of 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol?
1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol has a molecular weight of 298.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyimino-2,3-dihydroinden-5-yl)-2-pyridin-4-ylethane-1,2-diol is sourced from PubChem (CID 73012810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).