3-morpholin-4-ylpyran-2-one

C18H22N2O6 — CID 159182014

IUPAC3-morpholin-4-ylpyran-2-one
SMILESO=c1occcc1N1CCOCC1.O=c1occcc1N1CCOCC1
InChIInChI=1S/2C9H11NO3/c2*11-9-8(2-1-5-13-9)10-3-6-12-7-4-10/h2*1-2,5H,3-4,6-7H2
InChIKeyKNABIIPRTCQZDS-UHFFFAOYSA-N
MW362.38 g/mol
LogP0.95
Rot. Bonds2

About 3-morpholin-4-ylpyran-2-one

3-morpholin-4-ylpyran-2-one (PubChem CID 159182014) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-morpholin-4-ylpyran-2-one.

Molecular Properties

Compound Name3-morpholin-4-ylpyran-2-one
PubChem CID159182014
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name3-morpholin-4-ylpyran-2-one
SMILESO=c1occcc1N1CCOCC1.O=c1occcc1N1CCOCC1
InChIInChI=1S/2C9H11NO3/c2*11-9-8(2-1-5-13-9)10-3-6-12-7-4-10/h2*1-2,5H,3-4,6-7H2
InChIKeyKNABIIPRTCQZDS-UHFFFAOYSA-N
XLogP0.95
TPSA85.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylpyran-2-one?
The IUPAC name of 3-morpholin-4-ylpyran-2-one (CID 159182014) is 3-morpholin-4-ylpyran-2-one.
What is the SMILES notation for 3-morpholin-4-ylpyran-2-one?
The canonical SMILES for 3-morpholin-4-ylpyran-2-one is O=c1occcc1N1CCOCC1.O=c1occcc1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-ylpyran-2-one?
The InChIKey is KNABIIPRTCQZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO3/c2*11-9-8(2-1-5-13-9)10-3-6-12-7-4-10/h2*1-2,5H,3-4,6-7H2.
What are the key properties of 3-morpholin-4-ylpyran-2-one?
3-morpholin-4-ylpyran-2-one has a molecular weight of 362.38 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylpyran-2-one is sourced from PubChem (CID 159182014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).