7-(morpholine-4-carbonyl)azepan-2-one

C11H18N2O3 — CID 110196332

IUPAC7-(morpholine-4-carbonyl)azepan-2-one
SMILESO=C1CCCCC(C(=O)N2CCOCC2)N1
InChIInChI=1S/C11H18N2O3/c14-10-4-2-1-3-9(12-10)11(15)13-5-7-16-8-6-13/h9H,1-8H2,(H,12,14)
InChIKeyPJTBNMSVHLLRJL-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds1

About 7-(morpholine-4-carbonyl)azepan-2-one

7-(morpholine-4-carbonyl)azepan-2-one (PubChem CID 110196332) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)azepan-2-one.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)azepan-2-one
PubChem CID110196332
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name7-(morpholine-4-carbonyl)azepan-2-one
SMILESO=C1CCCCC(C(=O)N2CCOCC2)N1
InChIInChI=1S/C11H18N2O3/c14-10-4-2-1-3-9(12-10)11(15)13-5-7-16-8-6-13/h9H,1-8H2,(H,12,14)
InChIKeyPJTBNMSVHLLRJL-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)azepan-2-one?
The IUPAC name of 7-(morpholine-4-carbonyl)azepan-2-one (CID 110196332) is 7-(morpholine-4-carbonyl)azepan-2-one.
What is the SMILES notation for 7-(morpholine-4-carbonyl)azepan-2-one?
The canonical SMILES for 7-(morpholine-4-carbonyl)azepan-2-one is O=C1CCCCC(C(=O)N2CCOCC2)N1.
What is the InChIKey of 7-(morpholine-4-carbonyl)azepan-2-one?
The InChIKey is PJTBNMSVHLLRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10-4-2-1-3-9(12-10)11(15)13-5-7-16-8-6-13/h9H,1-8H2,(H,12,14).
What are the key properties of 7-(morpholine-4-carbonyl)azepan-2-one?
7-(morpholine-4-carbonyl)azepan-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)azepan-2-one is sourced from PubChem (CID 110196332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).