(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol

C12H19NO2 — CID 10512609

IUPAC(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol
SMILESCO/N=C1\CC2C[C@@H]3C[C@H](C2)CC1(O)C3
InChIInChI=1S/C12H19NO2/c1-15-13-11-5-8-2-9-4-10(3-8)7-12(11,14)6-9/h8-10,14H,2-7H2,1H3/b13-11+/t8?,9-,10+,12?
InChIKeyHBTVGNQBRULYFY-CNKJVMJKSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds1

About (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol

(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol (PubChem CID 10512609) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol.

Molecular Properties

Compound Name(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol
PubChem CID10512609
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol
SMILESCO/N=C1\CC2C[C@@H]3C[C@H](C2)CC1(O)C3
InChIInChI=1S/C12H19NO2/c1-15-13-11-5-8-2-9-4-10(3-8)7-12(11,14)6-9/h8-10,14H,2-7H2,1H3/b13-11+/t8?,9-,10+,12?
InChIKeyHBTVGNQBRULYFY-CNKJVMJKSA-N
XLogP1.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol?
The IUPAC name of (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol (CID 10512609) is (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol.
What is the SMILES notation for (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol?
The canonical SMILES for (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol is CO/N=C1\CC2C[C@@H]3C[C@H](C2)CC1(O)C3.
What is the InChIKey of (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol?
The InChIKey is HBTVGNQBRULYFY-CNKJVMJKSA-N. The full InChI is InChI=1S/C12H19NO2/c1-15-13-11-5-8-2-9-4-10(3-8)7-12(11,14)6-9/h8-10,14H,2-7H2,1H3/b13-11+/t8?,9-,10+,12?.
What are the key properties of (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol?
(1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol has a molecular weight of 209.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4E,8S)-4-methoxyiminotricyclo[4.3.1.13,8]undecan-3-ol is sourced from PubChem (CID 10512609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).