5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one

C9H17NO3 — CID 13131207

IUPAC5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
SMILESCCC1(CO)COC(=O)C(C)(C)N1
InChIInChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3
InChIKeyIXJGPWJVLDGXRM-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds2

About 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one

5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one (PubChem CID 13131207) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one.

Molecular Properties

Compound Name5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
PubChem CID13131207
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one
SMILESCCC1(CO)COC(=O)C(C)(C)N1
InChIInChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3
InChIKeyIXJGPWJVLDGXRM-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The IUPAC name of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one (CID 13131207) is 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one.
What is the SMILES notation for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The canonical SMILES for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one is CCC1(CO)COC(=O)C(C)(C)N1.
What is the InChIKey of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
The InChIKey is IXJGPWJVLDGXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-9(5-11)6-13-7(12)8(2,3)10-9/h10-11H,4-6H2,1-3H3.
What are the key properties of 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one?
5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(hydroxymethyl)-3,3-dimethylmorpholin-2-one is sourced from PubChem (CID 13131207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).