(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one

C10H15NO2 — CID 7188299

IUPAC(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
SMILESO=C1CCC[C@H]2/C(=N\O)CCC[C@H]12
InChIInChI=1S/C10H15NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11-13/h7-8,13H,1-6H2/b11-9-/t7-,8+/m1/s1
InChIKeyWXJJVEPCYOWURA-FNKULYRWSA-N
MW181.23 g/mol
LogP1.99
Rot. Bonds

About (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one

(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one (PubChem CID 7188299) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one.

Molecular Properties

Compound Name(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
PubChem CID7188299
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
SMILESO=C1CCC[C@H]2/C(=N\O)CCC[C@H]12
InChIInChI=1S/C10H15NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11-13/h7-8,13H,1-6H2/b11-9-/t7-,8+/m1/s1
InChIKeyWXJJVEPCYOWURA-FNKULYRWSA-N
XLogP1.99
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one with MolForge

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Related Compounds

(NE)-N-[(3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydroinden-4-ylidene]hydroxylamine
CID 98511830
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235574
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
2-[(2-hydroxyiminocyclooctyl)methyl]cyclooctan-1-one
CID 163859267
N-(2-cyclohexylcyclohexylidene)hydroxylamine
CID 73167271
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
N-(3,4,4a,5,8,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 151086895
3-(2-oxocyclohexyl)cyclohexane-1,2-dione
CID 11041975
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
2-cyclopent-3-en-1-ylcyclopentan-1-one
CID 130031088
(4S)-4-[(1R)-2-oxocyclopentyl]azetidin-2-one
CID 93233730

Frequently Asked Questions

What is the IUPAC name of (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one?
The IUPAC name of (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one (CID 7188299) is (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one.
What is the SMILES notation for (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one?
The canonical SMILES for (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one is O=C1CCC[C@H]2/C(=N\O)CCC[C@H]12.
What is the InChIKey of (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one?
The InChIKey is WXJJVEPCYOWURA-FNKULYRWSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11-13/h7-8,13H,1-6H2/b11-9-/t7-,8+/m1/s1.
What are the key properties of (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one?
(4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one has a molecular weight of 181.23 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,5Z,8aS)-5-hydroxyimino-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one is sourced from PubChem (CID 7188299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).