(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one

C10H18N2O2 — CID 58593540

IUPAC(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one
SMILESC/C=C/[C@H](C[C@@H]1OCCNC1=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-4-8(11-2)7-9-10(13)12-5-6-14-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t8-,9+/m1/s1
InChIKeyPDXMUDFGRQVAAB-BKIAHZASSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds4

About (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one

(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one (PubChem CID 58593540) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one.

Molecular Properties

Compound Name(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one
PubChem CID58593540
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one
SMILESC/C=C/[C@H](C[C@@H]1OCCNC1=O)NC
InChIInChI=1S/C10H18N2O2/c1-3-4-8(11-2)7-9-10(13)12-5-6-14-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t8-,9+/m1/s1
InChIKeyPDXMUDFGRQVAAB-BKIAHZASSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 23594716
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CID 58593515
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CID 58607754
CID 58607754
(2S)-2-[(E,2S)-2-(methylamino)-5-oxohex-3-enyl]morpholin-3-one
CID 59079558
2-hex-4-en-3-yloxy-N-piperidin-4-ylacetamide
CID 123983113
(2R,3R,4S)-3-acetamido-4-amino-N-propyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 140985242
(E)-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]pent-2-enamide
CID 156518243
2-[(E)-2-(methylamino)pent-3-enyl]morpholin-3-one
CID 23594719
N-cyclohex-3-en-1-yl-2-piperidin-4-yloxyacetamide
CID 65701705
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79207536
(4-Aminocyclopent-2-en-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 79207685

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one?
The IUPAC name of (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one (CID 58593540) is (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one.
What is the SMILES notation for (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one?
The canonical SMILES for (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one is C/C=C/[C@H](C[C@@H]1OCCNC1=O)NC.
What is the InChIKey of (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one?
The InChIKey is PDXMUDFGRQVAAB-BKIAHZASSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-4-8(11-2)7-9-10(13)12-5-6-14-9/h3-4,8-9,11H,5-7H2,1-2H3,(H,12,13)/b4-3+/t8-,9+/m1/s1.
What are the key properties of (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one?
(2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one has a molecular weight of 198.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(E,2S)-2-(methylamino)pent-3-enyl]morpholin-3-one is sourced from PubChem (CID 58593540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).