(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one

C10H20N2O2 — CID 172944980

IUPAC(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one
SMILESCC/C(CC[C@H](NC)C(C)=O)=N\OC
InChIInChI=1S/C10H20N2O2/c1-5-9(12-14-4)6-7-10(11-3)8(2)13/h10-11H,5-7H2,1-4H3/b12-9+/t10-/m0/s1
InChIKeyGUULXMXWZTZGBN-LZAIMSLLSA-N
MW200.28 g/mol
LogP1.36
Rot. Bonds7

About (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one

(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one (PubChem CID 172944980) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one.

Molecular Properties

Compound Name(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one
PubChem CID172944980
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one
SMILESCC/C(CC[C@H](NC)C(C)=O)=N\OC
InChIInChI=1S/C10H20N2O2/c1-5-9(12-14-4)6-7-10(11-3)8(2)13/h10-11H,5-7H2,1-4H3/b12-9+/t10-/m0/s1
InChIKeyGUULXMXWZTZGBN-LZAIMSLLSA-N
XLogP1.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(3R)-5-methoxy-3-(methylamino)pentan-2-one
CID 130319211
6-hydroxy-3-(methylamino)hept-6-en-2-one
CID 58339043
(3S)-9-methyl-3-(methylamino)decane-2,6,7-trione
CID 135199892
(3S)-5-hydroxy-3-(methylamino)pentan-2-one
CID 59960243
(5S)-1,1,1-trifluoro-5-(methylamino)heptane-2,6-dione
CID 135189834
(3S)-3-(methylamino)-5-sulfanylpentan-2-one
CID 88948174
3-(methylamino)nonan-2-one
CID 21024660
3-(methylamino)heptane-2,5-dione
CID 121263911
5-amino-3-(methylamino)pentan-2-one;methane
CID 157156675
N-[(5R)-5-(methylamino)-6-oxoheptyl]propanamide
CID 170089451
(5S)-1-diazo-5-(methylamino)heptane-2,6-dione
CID 90984124
(3S)-6-amino-3-(methylamino)hexan-2-one
CID 59098893

Frequently Asked Questions

What is the IUPAC name of (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one?
The IUPAC name of (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one (CID 172944980) is (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one.
What is the SMILES notation for (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one?
The canonical SMILES for (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one is CC/C(CC[C@H](NC)C(C)=O)=N\OC.
What is the InChIKey of (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one?
The InChIKey is GUULXMXWZTZGBN-LZAIMSLLSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-9(12-14-4)6-7-10(11-3)8(2)13/h10-11H,5-7H2,1-4H3/b12-9+/t10-/m0/s1.
What are the key properties of (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one?
(3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E)-6-methoxyimino-3-(methylamino)octan-2-one is sourced from PubChem (CID 172944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).