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

C11H19NO2 — CID 10987213

IUPAC(2R,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-NXEZZACHSA-N
MW197.28 g/mol
LogP1.30
Rot. Bonds3

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

(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 10987213) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID10987213
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2R,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-NXEZZACHSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (CID 10987213) is (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for (2R,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 (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is JDPUKICTPBDLLF-NXEZZACHSA-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 (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
(2R,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 (2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 10987213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).