CID 58019839

C10H16NO2W- — CID 58019839

IUPAC—
SMILESCC(=O)C12C[C-]1C(CO)C(C)N2C.[W]
InChIInChI=1S/C10H16NO2.W/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3;/h6,8,12H,4-5H2,1-3H3;/q-1;
InChIKeyJRUVMDWNYWBNIT-UHFFFAOYSA-N
MW366.08 g/mol
LogP0.23
Rot. Bonds2

About CID 58019839

CID 58019839 (PubChem CID 58019839) has the molecular formula C10H16NO2W- and a molecular weight of 366.08 g/mol.

Molecular Properties

Compound NameCID 58019839
PubChem CID58019839
Molecular FormulaC10H16NO2W-
Molecular Weight366.08 g/mol
Exact Mass366.07
IUPAC Name—
SMILESCC(=O)C12C[C-]1C(CO)C(C)N2C.[W]
InChIInChI=1S/C10H16NO2.W/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3;/h6,8,12H,4-5H2,1-3H3;/q-1;
InChIKeyJRUVMDWNYWBNIT-UHFFFAOYSA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.08
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone
CID 134853000
CID 58019817
CID 58019817
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
1-[(5R,8R,8aS)-5-butyl-8-(2-hydroxyethyl)-2,3,5,6,7,8-hexahydro-1H-indolizin-8a-yl]ethanone
CID 132849617

Frequently Asked Questions

What is the IUPAC name of CID 58019839?
The IUPAC name of CID 58019839 (CID 58019839) is not available.
What is the SMILES notation for CID 58019839?
The canonical SMILES for CID 58019839 is CC(=O)C12C[C-]1C(CO)C(C)N2C.[W].
What is the InChIKey of CID 58019839?
The InChIKey is JRUVMDWNYWBNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2.W/c1-6-8(5-12)9-4-10(9,7(2)13)11(6)3;/h6,8,12H,4-5H2,1-3H3;/q-1;.
What are the key properties of CID 58019839?
CID 58019839 has a molecular weight of 366.08 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58019839 is sourced from PubChem (CID 58019839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).