3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one

C16H27NO2 — CID 123894417

IUPAC3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
SMILESC=C(C=CCC)C(=O)C(CC)(CC)N1CCOCC1
InChIInChI=1S/C16H27NO2/c1-5-8-9-14(4)15(18)16(6-2,7-3)17-10-12-19-13-11-17/h8-9H,4-7,10-13H2,1-3H3
InChIKeyULJQSHDTMMSAAW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds7

About 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one

3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one (PubChem CID 123894417) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one.

Molecular Properties

Compound Name3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
PubChem CID123894417
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
SMILESC=C(C=CCC)C(=O)C(CC)(CC)N1CCOCC1
InChIInChI=1S/C16H27NO2/c1-5-8-9-14(4)15(18)16(6-2,7-3)17-10-12-19-13-11-17/h8-9H,4-7,10-13H2,1-3H3
InChIKeyULJQSHDTMMSAAW-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z,4E)-4-ethylidene-2-methyl-7-methylsulfanyl-2-morpholin-4-yloct-5-en-3-one
CID 88905677
(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
CID 88961030
2-Methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 117845095
(4E,9Z,10Z)-7-(dimethylamino)-7-ethyl-2-[ethyl(2-methoxyethyl)amino]-5-methyl-9-prop-2-enylidenetrideca-4,10-dien-6-one
CID 144783257
ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one
CID 144803146
ethane;(4E)-2-methyl-2-morpholin-4-yl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-one
CID 144896585
(3E,5Z)-3-ethenyl-1-morpholin-4-ylhepta-3,5-dien-2-one
CID 145369355
(5Z,7Z)-2-(dimethylamino)-2-ethyl-1-[(1E,3E)-4-morpholin-4-ylcycloocta-1,3,6-trien-1-yl]undeca-5,7-dien-1-one
CID 155275652
1-(1-Morpholin-4-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 156778731
(4E)-4-ethylidene-2,6-dimethyl-2-morpholin-4-ylheptan-3-one
CID 166850608
6-Methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 175558356
5-Methyl-5-morpholin-4-ylhept-1-en-4-one
CID 79065096

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one?
The IUPAC name of 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one (CID 123894417) is 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one.
What is the SMILES notation for 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one?
The canonical SMILES for 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one is C=C(C=CCC)C(=O)C(CC)(CC)N1CCOCC1.
What is the InChIKey of 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one?
The InChIKey is ULJQSHDTMMSAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-8-9-14(4)15(18)16(6-2,7-3)17-10-12-19-13-11-17/h8-9H,4-7,10-13H2,1-3H3.
What are the key properties of 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one?
3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one has a molecular weight of 265.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one is sourced from PubChem (CID 123894417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).