(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one

C17H31NO3 — CID 23241161

IUPAC(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one
SMILESCC(C)C/C=C/CC(OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO3/c1-14(2)8-6-7-9-15(21-17(3,4)5)16(19)18-10-12-20-13-11-18/h6-7,14-15H,8-13H2,1-5H3/b7-6+
InChIKeyOAPWFEDSKROUMK-VOTSOKGWSA-N
MW297.44 g/mol
LogP3.02
Rot. Bonds6

About (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one

(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one (PubChem CID 23241161) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one.

Molecular Properties

Compound Name(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one
PubChem CID23241161
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one
SMILESCC(C)C/C=C/CC(OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C17H31NO3/c1-14(2)8-6-7-9-15(21-17(3,4)5)16(19)18-10-12-20-13-11-18/h6-7,14-15H,8-13H2,1-5H3/b7-6+
InChIKeyOAPWFEDSKROUMK-VOTSOKGWSA-N
XLogP3.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
CID 68411602
(E)-2-methyl-1-morpholin-4-ylhex-4-en-1-one
CID 90042865
(2S)-2,3-dimethyl-1-morpholin-4-ylhex-4-en-1-one
CID 91015468
2-Methyl-1-morpholin-4-ylhept-4-en-1-one
CID 123519194
4-Methyl-2-prop-2-enylmorpholin-3-one
CID 141957621
3,5-Dimethyl-1-morpholin-4-ylhex-4-en-1-one
CID 142565851
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-1-piperidin-1-ylbutan-1-one
CID 150937077
(2S)-4-bromo-2-methyl-2-prop-2-enylmorpholin-3-one
CID 153398807
(2S)-2,4-dimethyl-2-prop-2-enylmorpholin-3-one
CID 155131475
(2S,3S)-2-methoxy-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10680015
(2R,3S)-2-methoxy-3-methyl-1-piperidin-1-ylpent-4-en-1-one
CID 10703722
(E)-2-methoxy-N,N,7-trimethyloct-4-enamide
CID 14570362

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one?
The IUPAC name of (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one (CID 23241161) is (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one.
What is the SMILES notation for (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one?
The canonical SMILES for (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one is CC(C)C/C=C/CC(OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one?
The InChIKey is OAPWFEDSKROUMK-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H31NO3/c1-14(2)8-6-7-9-15(21-17(3,4)5)16(19)18-10-12-20-13-11-18/h6-7,14-15H,8-13H2,1-5H3/b7-6+.
What are the key properties of (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one?
(E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one has a molecular weight of 297.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyl-2-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yloct-4-en-1-one is sourced from PubChem (CID 23241161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).