(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one

C12H22N2O3 — CID 6870353

IUPAC(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one
SMILESO=C(/C=N/O)CCCCCCN1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-12(11-13-16)5-3-1-2-4-6-14-7-9-17-10-8-14/h11,16H,1-10H2/b13-11+
InChIKeyMNERSNSJDXXISQ-ACCUITESSA-N
MW242.32 g/mol
LogP1.30
Rot. Bonds8

About (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one

(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one (PubChem CID 6870353) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one.

Molecular Properties

Compound Name(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one
PubChem CID6870353
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one
SMILESO=C(/C=N/O)CCCCCCN1CCOCC1
InChIInChI=1S/C12H22N2O3/c15-12(11-13-16)5-3-1-2-4-6-14-7-9-17-10-8-14/h11,16H,1-10H2/b13-11+
InChIKeyMNERSNSJDXXISQ-ACCUITESSA-N
XLogP1.30
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

N-methyl-7-morpholin-4-ylheptanamide
CID 176680363
ethane;N-methyl-7-morpholin-4-ylheptanamide
CID 176680362
5-morpholin-4-ylpentanehydrazide
CID 63570305
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
20-morpholin-4-ylicosan-1-ol
CID 58205553
9-morpholin-4-ylnonan-1-ol
CID 58205558
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
4-oct-7-enylmorpholine
CID 67850758
6-amino-N-(2-morpholin-4-ylethyl)hexanamide
CID 24707853
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
12-morpholin-4-yldodecane-1-sulfonic acid
CID 18415240
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904

Frequently Asked Questions

What is the IUPAC name of (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one?
The IUPAC name of (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one (CID 6870353) is (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one.
What is the SMILES notation for (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one?
The canonical SMILES for (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one is O=C(/C=N/O)CCCCCCN1CCOCC1.
What is the InChIKey of (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one?
The InChIKey is MNERSNSJDXXISQ-ACCUITESSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-12(11-13-16)5-3-1-2-4-6-14-7-9-17-10-8-14/h11,16H,1-10H2/b13-11+.
What are the key properties of (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one?
(1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one has a molecular weight of 242.32 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hydroxyimino-8-morpholin-4-yloctan-2-one is sourced from PubChem (CID 6870353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).