(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone

C13H20N2O3 — CID 114247390

IUPAC(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H20N2O3/c16-12-8-5-9-7-15(11(12)10(9)6-8)13(17)14-1-3-18-4-2-14/h8-12,16H,1-7H2
InChIKeyKFZGOUHOSSXKED-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.14
Rot. Bonds

About (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone

(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone (PubChem CID 114247390) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
PubChem CID114247390
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC2CC3CC2C1C3O
InChIInChI=1S/C13H20N2O3/c16-12-8-5-9-7-15(11(12)10(9)6-8)13(17)14-1-3-18-4-2-14/h8-12,16H,1-7H2
InChIKeyKFZGOUHOSSXKED-UHFFFAOYSA-N
XLogP0.14
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone (CID 114247390) is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC2CC3CC2C1C3O.
What is the InChIKey of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone?
The InChIKey is KFZGOUHOSSXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-12-8-5-9-7-15(11(12)10(9)6-8)13(17)14-1-3-18-4-2-14/h8-12,16H,1-7H2.
What are the key properties of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone?
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone has a molecular weight of 252.31 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 114247390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).