CID 58019817

C11H18NO2W- — CID 58019817

IUPAC—
SMILESCC(=O)C12C[C-]1C(C)(CO)C(C)N2C.[W]
InChIInChI=1S/C11H18NO2.W/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4;/h7,13H,5-6H2,1-4H3;/q-1;
InChIKeyIZCUHXYQHDCKNF-UHFFFAOYSA-N
MW380.11 g/mol
LogP0.62
Rot. Bonds2

About CID 58019817

CID 58019817 (PubChem CID 58019817) has the molecular formula C11H18NO2W- and a molecular weight of 380.11 g/mol.

Molecular Properties

Compound NameCID 58019817
PubChem CID58019817
Molecular FormulaC11H18NO2W-
Molecular Weight380.11 g/mol
Exact Mass380.09
IUPAC Name—
SMILESCC(=O)C12C[C-]1C(C)(CO)C(C)N2C.[W]
InChIInChI=1S/C11H18NO2.W/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4;/h7,13H,5-6H2,1-4H3;/q-1;
InChIKeyIZCUHXYQHDCKNF-UHFFFAOYSA-N
XLogP0.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.11
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 58019817 with MolForge

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

Launch Full Analysis

Related Compounds

CID 58019839
CID 58019839
CID 58019842
CID 58019842
1-[(1R,2S,5S)-3-acetyl-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 117755011
1-[(2S,5S,6S)-3-acetyl-6-(hydroxymethyl)-6-methyl-3-azabicyclo[3.1.0]hexan-2-yl]ethanone
CID 153141442
1-[4-(Hydroxymethyl)-2,3,4-trimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
CID 58019818
1-[4-(Hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
CID 58019840
1-[4-Hydroxy-4-(hydroxymethyl)-2,3-dimethyl-2-azabicyclo[3.1.0]hexan-1-yl]ethanone
CID 58019843

Frequently Asked Questions

What is the IUPAC name of CID 58019817?
The IUPAC name of CID 58019817 (CID 58019817) is not available.
What is the SMILES notation for CID 58019817?
The canonical SMILES for CID 58019817 is CC(=O)C12C[C-]1C(C)(CO)C(C)N2C.[W].
What is the InChIKey of CID 58019817?
The InChIKey is IZCUHXYQHDCKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18NO2.W/c1-7-10(3,6-13)9-5-11(9,8(2)14)12(7)4;/h7,13H,5-6H2,1-4H3;/q-1;.
What are the key properties of CID 58019817?
CID 58019817 has a molecular weight of 380.11 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58019817 is sourced from PubChem (CID 58019817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).