(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

C11H19NO2 — CID 100990980

IUPAC(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C[C@@H](C)[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-9(2)10(3)11(13)12-5-7-14-8-6-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyJDPUKICTPBDLLF-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds3

About (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 100990980) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID100990980
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=C[C@@H](C)[C@H](C)C(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-9(2)10(3)11(13)12-5-7-14-8-6-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyJDPUKICTPBDLLF-ZJUUUORDSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
4-[6-Methyl-3-cyclohexenecarboxyl]morpholine
CID 610576
(2S,3S)-3-chloro-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 10976907
Morpholine, 4-(2-acetyl-1-oxo-4-pentenyl)-
CID 11052944
2,3-Dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084216
3-Chloro-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084218
(2R)-2-methyl-1-morpholin-4-ylpent-4-en-1-one
CID 12084219

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (CID 100990980) is (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is C=C[C@@H](C)[C@H](C)C(=O)N1CCOCC1.
What is the InChIKey of (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is JDPUKICTPBDLLF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9(2)10(3)11(13)12-5-7-14-8-6-12/h4,9-10H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 100990980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).