2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one

C13H14N2O3 — CID 141128929

IUPAC2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one
SMILESO=C1C(=NO)Cc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O3/c16-13-11-2-1-10(15-3-5-18-6-4-15)7-9(11)8-12(13)14-17/h1-2,7,17H,3-6,8H2
InChIKeyANHGKWMOOXZLQM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.09
Rot. Bonds1

About 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one

2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one (PubChem CID 141128929) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one.

Molecular Properties

Compound Name2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one
PubChem CID141128929
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one
SMILESO=C1C(=NO)Cc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C13H14N2O3/c16-13-11-2-1-10(15-3-5-18-6-4-15)7-9(11)8-12(13)14-17/h1-2,7,17H,3-6,8H2
InChIKeyANHGKWMOOXZLQM-UHFFFAOYSA-N
XLogP1.09
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one?
The IUPAC name of 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one (CID 141128929) is 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one.
What is the SMILES notation for 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one?
The canonical SMILES for 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one is O=C1C(=NO)Cc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one?
The InChIKey is ANHGKWMOOXZLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13-11-2-1-10(15-3-5-18-6-4-15)7-9(11)8-12(13)14-17/h1-2,7,17H,3-6,8H2.
What are the key properties of 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one?
2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one has a molecular weight of 246.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-5-morpholin-4-yl-3H-inden-1-one is sourced from PubChem (CID 141128929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).