azepan-2-one;morpholine

C10H20N2O2 — CID 158589160

IUPACazepan-2-one;morpholine
SMILESC1COCCN1.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C4H9NO/c8-6-4-2-1-3-5-7-6;1-3-6-4-2-5-1/h1-5H2,(H,7,8);5H,1-4H2
InChIKeyHUFLIYSOCDYPQW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.28
Rot. Bonds

About azepan-2-one;morpholine

azepan-2-one;morpholine (PubChem CID 158589160) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is azepan-2-one;morpholine.

Molecular Properties

Compound Nameazepan-2-one;morpholine
PubChem CID158589160
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nameazepan-2-one;morpholine
SMILESC1COCCN1.O=C1CCCCCN1
InChIInChI=1S/C6H11NO.C4H9NO/c8-6-4-2-1-3-5-7-6;1-3-6-4-2-5-1/h1-5H2,(H,7,8);5H,1-4H2
InChIKeyHUFLIYSOCDYPQW-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-2-one;morpholine?
The IUPAC name of azepan-2-one;morpholine (CID 158589160) is azepan-2-one;morpholine.
What is the SMILES notation for azepan-2-one;morpholine?
The canonical SMILES for azepan-2-one;morpholine is C1COCCN1.O=C1CCCCCN1.
What is the InChIKey of azepan-2-one;morpholine?
The InChIKey is HUFLIYSOCDYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H9NO/c8-6-4-2-1-3-5-7-6;1-3-6-4-2-5-1/h1-5H2,(H,7,8);5H,1-4H2.
What are the key properties of azepan-2-one;morpholine?
azepan-2-one;morpholine has a molecular weight of 200.28 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-one;morpholine is sourced from PubChem (CID 158589160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).