2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

C13H17NO5 — CID 91901091

IUPAC2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(O)C3CC2C1C3C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO5/c15-10-6-5-7-9(13(17)19-11(7)10)8(6)12(16)14-1-3-18-4-2-14/h6-11,15H,1-5H2
InChIKeyBQVUJVIQHWEEQN-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.99
Rot. Bonds1

About 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one

2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (PubChem CID 91901091) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.

Molecular Properties

Compound Name2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
PubChem CID91901091
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
SMILESO=C1OC2C(O)C3CC2C1C3C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO5/c15-10-6-5-7-9(13(17)19-11(7)10)8(6)12(16)14-1-3-18-4-2-14/h6-11,15H,1-5H2
InChIKeyBQVUJVIQHWEEQN-UHFFFAOYSA-N
XLogP-0.99
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The IUPAC name of 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one (CID 91901091) is 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one.
What is the SMILES notation for 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The canonical SMILES for 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is O=C1OC2C(O)C3CC2C1C3C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
The InChIKey is BQVUJVIQHWEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c15-10-6-5-7-9(13(17)19-11(7)10)8(6)12(16)14-1-3-18-4-2-14/h6-11,15H,1-5H2.
What are the key properties of 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one?
2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one has a molecular weight of 267.28 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-(morpholine-4-carbonyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one is sourced from PubChem (CID 91901091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).