(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one

C12H23NO2 — CID 22689073

IUPAC(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one
SMILESCCC(C)[C@H]1COC(=O)C(CC)(CC)N1
InChIInChI=1S/C12H23NO2/c1-5-9(4)10-8-15-11(14)12(6-2,7-3)13-10/h9-10,13H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyMPDPLTNSYMKRGJ-QVDQXJPCSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds4

About (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one

(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one (PubChem CID 22689073) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one.

Molecular Properties

Compound Name(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one
PubChem CID22689073
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one
SMILESCCC(C)[C@H]1COC(=O)C(CC)(CC)N1
InChIInChI=1S/C12H23NO2/c1-5-9(4)10-8-15-11(14)12(6-2,7-3)13-10/h9-10,13H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyMPDPLTNSYMKRGJ-QVDQXJPCSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one?
The IUPAC name of (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one (CID 22689073) is (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one.
What is the SMILES notation for (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one?
The canonical SMILES for (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one is CCC(C)[C@H]1COC(=O)C(CC)(CC)N1.
What is the InChIKey of (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one?
The InChIKey is MPDPLTNSYMKRGJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-9(4)10-8-15-11(14)12(6-2,7-3)13-10/h9-10,13H,5-8H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one?
(5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one has a molecular weight of 213.32 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-butan-2-yl-3,3-diethylmorpholin-2-one is sourced from PubChem (CID 22689073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).