(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide

C13H24N2O2 — CID 94116743

IUPAC(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-4-5-11(2)13(16)14-12(3)10-15-6-8-17-9-7-15/h5,12H,4,6-10H2,1-3H3,(H,14,16)/b11-5+/t12-/m0/s1
InChIKeyXZZDOFXERQGOMA-JVOXIWMLSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds5

About (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide

(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide (PubChem CID 94116743) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide
PubChem CID94116743
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide
SMILESCC/C=C(\C)C(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C13H24N2O2/c1-4-5-11(2)13(16)14-12(3)10-15-6-8-17-9-7-15/h5,12H,4,6-10H2,1-3H3,(H,14,16)/b11-5+/t12-/m0/s1
InChIKeyXZZDOFXERQGOMA-JVOXIWMLSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-N-(2-morpholinoethyl)nicotinamide
CID 28826303
(2E)-3,7-dimethyl-N-(3-morpholin-4-ylpropyl)octa-2,6-dienamide
CID 60168515
N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 72154971
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
CID 97336858
(E)-N-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylpent-2-enamide
CID 133576086
(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 171359447
2-methyl-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 10330366
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
N-[(4-methylmorpholin-3-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166256755
N-(1-{[1-(2-ethoxyethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}piperidin-3-yl)acetamide
CID 50961460
(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pent-2-enamide
CID 51077873
(Z)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)pent-2-enamide
CID 51080936

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide?
The IUPAC name of (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide (CID 94116743) is (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide?
The canonical SMILES for (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide is CC/C=C(\C)C(=O)N[C@@H](C)CN1CCOCC1.
What is the InChIKey of (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide?
The InChIKey is XZZDOFXERQGOMA-JVOXIWMLSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-11(2)13(16)14-12(3)10-15-6-8-17-9-7-15/h5,12H,4,6-10H2,1-3H3,(H,14,16)/b11-5+/t12-/m0/s1.
What are the key properties of (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide?
(E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pent-2-enamide is sourced from PubChem (CID 94116743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).