1-morpholin-4-ylpentan-2-one

C9H17NO2 — CID 10749698

IUPAC1-morpholin-4-ylpentan-2-one
SMILESCCCC(=O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-8H2,1H3
InChIKeyZDERSGRUIIEUHB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.69
Rot. Bonds4

About 1-morpholin-4-ylpentan-2-one

1-morpholin-4-ylpentan-2-one (PubChem CID 10749698) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-morpholin-4-ylpentan-2-one.

Molecular Properties

Compound Name1-morpholin-4-ylpentan-2-one
PubChem CID10749698
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-morpholin-4-ylpentan-2-one
SMILESCCCC(=O)CN1CCOCC1
InChIInChI=1S/C9H17NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-8H2,1H3
InChIKeyZDERSGRUIIEUHB-UHFFFAOYSA-N
XLogP0.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpentan-2-one?
The IUPAC name of 1-morpholin-4-ylpentan-2-one (CID 10749698) is 1-morpholin-4-ylpentan-2-one.
What is the SMILES notation for 1-morpholin-4-ylpentan-2-one?
The canonical SMILES for 1-morpholin-4-ylpentan-2-one is CCCC(=O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpentan-2-one?
The InChIKey is ZDERSGRUIIEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-9(11)8-10-4-6-12-7-5-10/h2-8H2,1H3.
What are the key properties of 1-morpholin-4-ylpentan-2-one?
1-morpholin-4-ylpentan-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpentan-2-one is sourced from PubChem (CID 10749698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).