3-morpholin-4-ylazepan-2-one

C10H18N2O2 — CID 20564694

IUPAC3-morpholin-4-ylazepan-2-one
SMILESO=C1NCCCCC1N1CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10-9(3-1-2-4-11-10)12-5-7-14-8-6-12/h9H,1-8H2,(H,11,13)
InChIKeyANZBBKOAUKBPKG-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds1

About 3-morpholin-4-ylazepan-2-one

3-morpholin-4-ylazepan-2-one (PubChem CID 20564694) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-morpholin-4-ylazepan-2-one.

Molecular Properties

Compound Name3-morpholin-4-ylazepan-2-one
PubChem CID20564694
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-morpholin-4-ylazepan-2-one
SMILESO=C1NCCCCC1N1CCOCC1
InChIInChI=1S/C10H18N2O2/c13-10-9(3-1-2-4-11-10)12-5-7-14-8-6-12/h9H,1-8H2,(H,11,13)
InChIKeyANZBBKOAUKBPKG-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylazepan-2-one?
The IUPAC name of 3-morpholin-4-ylazepan-2-one (CID 20564694) is 3-morpholin-4-ylazepan-2-one.
What is the SMILES notation for 3-morpholin-4-ylazepan-2-one?
The canonical SMILES for 3-morpholin-4-ylazepan-2-one is O=C1NCCCCC1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylazepan-2-one?
The InChIKey is ANZBBKOAUKBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-10-9(3-1-2-4-11-10)12-5-7-14-8-6-12/h9H,1-8H2,(H,11,13).
What are the key properties of 3-morpholin-4-ylazepan-2-one?
3-morpholin-4-ylazepan-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylazepan-2-one is sourced from PubChem (CID 20564694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).