4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one

C10H19NO3 — CID 117009603

IUPAC4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one
SMILESCCC(C)N1C(=O)COCC1CCO
InChIInChI=1S/C10H19NO3/c1-3-8(2)11-9(4-5-12)6-14-7-10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyDQJNAYSYAMNWJU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.39
Rot. Bonds4

About 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one

4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one (PubChem CID 117009603) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one.

Molecular Properties

Compound Name4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one
PubChem CID117009603
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one
SMILESCCC(C)N1C(=O)COCC1CCO
InChIInChI=1S/C10H19NO3/c1-3-8(2)11-9(4-5-12)6-14-7-10(11)13/h8-9,12H,3-7H2,1-2H3
InChIKeyDQJNAYSYAMNWJU-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one?
The IUPAC name of 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one (CID 117009603) is 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one.
What is the SMILES notation for 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one?
The canonical SMILES for 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one is CCC(C)N1C(=O)COCC1CCO.
What is the InChIKey of 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one?
The InChIKey is DQJNAYSYAMNWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(2)11-9(4-5-12)6-14-7-10(11)13/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one?
4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one has a molecular weight of 201.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-(2-hydroxyethyl)morpholin-3-one is sourced from PubChem (CID 117009603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).