(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

C10H17NO2 — CID 14570352

IUPAC(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)[C@H]1C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-7(9)10(3,12)8(5-6)11-13/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10+/m0/s1
InChIKeyMFPCIFGOPFVBDU-FTCXMGJASA-N
MW183.25 g/mol
LogP1.63
Rot. Bonds

About (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 14570352) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID14570352
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)[C@H]1C2
InChIInChI=1S/C10H17NO2/c1-9(2)6-4-7(9)10(3,12)8(5-6)11-13/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10+/m0/s1
InChIKeyMFPCIFGOPFVBDU-FTCXMGJASA-N
XLogP1.63
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol (CID 14570352) is (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)[C@@H]2C/C(=N\O)[C@](C)(O)[C@H]1C2.
What is the InChIKey of (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is MFPCIFGOPFVBDU-FTCXMGJASA-N. The full InChI is InChI=1S/C10H17NO2/c1-9(2)6-4-7(9)10(3,12)8(5-6)11-13/h6-7,12-13H,4-5H2,1-3H3/b11-8+/t6-,7-,10+/m0/s1.
What are the key properties of (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol?
(1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3E,5S)-3-hydroxyimino-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 14570352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).