10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one

C13H18N2O2 — CID 165358942

IUPAC10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one
SMILESO=c1cccc2n1C1CCC2CN(CCO)C1
InChIInChI=1S/C13H18N2O2/c16-7-6-14-8-10-4-5-11(9-14)15-12(10)2-1-3-13(15)17/h1-3,10-11,16H,4-9H2
InChIKeyOHGPCALNWNTYNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.57
Rot. Bonds2

About 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one

10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one (PubChem CID 165358942) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one.

Molecular Properties

Compound Name10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one
PubChem CID165358942
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one
SMILESO=c1cccc2n1C1CCC2CN(CCO)C1
InChIInChI=1S/C13H18N2O2/c16-7-6-14-8-10-4-5-11(9-14)15-12(10)2-1-3-13(15)17/h1-3,10-11,16H,4-9H2
InChIKeyOHGPCALNWNTYNE-UHFFFAOYSA-N
XLogP0.57
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one?
The IUPAC name of 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one (CID 165358942) is 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one.
What is the SMILES notation for 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one?
The canonical SMILES for 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one is O=c1cccc2n1C1CCC2CN(CCO)C1.
What is the InChIKey of 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one?
The InChIKey is OHGPCALNWNTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-7-6-14-8-10-4-5-11(9-14)15-12(10)2-1-3-13(15)17/h1-3,10-11,16H,4-9H2.
What are the key properties of 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one?
10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one has a molecular weight of 234.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxyethyl)-2,10-diazatricyclo[6.3.2.02,7]trideca-4,6-dien-3-one is sourced from PubChem (CID 165358942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).