(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one

C11H19NO2 — CID 139523180

IUPAC(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)N1[C@H](C)COC[C@H]1C
InChIInChI=1S/C11H19NO2/c1-8(5-11(4)13)12-9(2)6-14-7-10(12)3/h5,9-10H,6-7H2,1-4H3/b8-5+/t9-,10-/m1/s1
InChIKeyVCDHQFQCUANYDD-STFJZOTBSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds2

About (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one

(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one (PubChem CID 139523180) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one
PubChem CID139523180
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)N1[C@H](C)COC[C@H]1C
InChIInChI=1S/C11H19NO2/c1-8(5-11(4)13)12-9(2)6-14-7-10(12)3/h5,9-10H,6-7H2,1-4H3/b8-5+/t9-,10-/m1/s1
InChIKeyVCDHQFQCUANYDD-STFJZOTBSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-Penten-2-one, 4-morpholino-
CID 5373307
4-Morpholin-4-yl-pent-3-en-2-one
CID 592427
(Z)-4-morpholin-4-ylpent-3-en-2-one
CID 21160636
(E)-5-morpholin-4-ylhex-4-en-3-one
CID 134894545
ethyl 2-[methyl-[(Z)-4-oxopent-2-en-2-yl]amino]acetate
CID 89987929
2-Methyl-6-morpholin-4-ylpyran-4-one
CID 121400869
ethane;(E)-3-methyl-4-morpholin-4-ylpent-3-en-2-one
CID 143337984
(E)-4-morpholin-4-ylhex-3-en-2-one
CID 144558574
(E)-3-morpholin-4-ylhex-3-en-2-one
CID 146204115
(E)-5-morpholin-4-ylhex-3-en-2-one
CID 172576995
ethane;(E)-5-morpholin-4-ylhex-3-en-2-one
CID 172577045
ethane;(E)-5-[(2R)-2-methylmorpholin-4-yl]hex-3-en-2-one
CID 172577076

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one?
The IUPAC name of (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one (CID 139523180) is (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one.
What is the SMILES notation for (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one?
The canonical SMILES for (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one is CC(=O)/C=C(\C)N1[C@H](C)COC[C@H]1C.
What is the InChIKey of (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one?
The InChIKey is VCDHQFQCUANYDD-STFJZOTBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(5-11(4)13)12-9(2)6-14-7-10(12)3/h5,9-10H,6-7H2,1-4H3/b8-5+/t9-,10-/m1/s1.
What are the key properties of (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one?
(E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(3R,5R)-3,5-dimethylmorpholin-4-yl]pent-3-en-2-one is sourced from PubChem (CID 139523180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).