ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one

C18H29NO2 — CID 144803146

IUPACethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one
SMILESC=C/C=C\C(=C/C=C)C(=O)C(C)(C)N1CCOCC1.CC
InChIInChI=1S/C16H23NO2.C2H6/c1-5-7-9-14(8-6-2)15(18)16(3,4)17-10-12-19-13-11-17;1-2/h5-9H,1-2,10-13H2,3-4H3;1-2H3/b9-7-,14-8+;
InChIKeyVIYANZYONJWDOA-XZUBSDCWSA-N
MW291.44 g/mol
LogP3.55
Rot. Bonds6

About ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one

ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one (PubChem CID 144803146) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one.

Molecular Properties

Compound Nameethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one
PubChem CID144803146
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Nameethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one
SMILESC=C/C=C\C(=C/C=C)C(=O)C(C)(C)N1CCOCC1.CC
InChIInChI=1S/C16H23NO2.C2H6/c1-5-7-9-14(8-6-2)15(18)16(3,4)17-10-12-19-13-11-17;1-2/h5-9H,1-2,10-13H2,3-4H3;1-2H3/b9-7-,14-8+;
InChIKeyVIYANZYONJWDOA-XZUBSDCWSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.55
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
4-Ethylidene-2,7-dimethyl-6-(1-morpholin-4-ylethenyl)dodeca-1,5,7,9-tetraen-3-one
CID 91201698
2-Methyl-1-(4-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylpropan-1-one
CID 117845095
3-Ethyl-5-methylidene-3-morpholin-4-ylnon-6-en-4-one
CID 123894417
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
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
Methyl-[4-(2-methyl-2-morpholin-4-ylpropanoyl)cyclohexa-2,4-dien-1-ylidene]sulfanium
CID 172690784
6-Methyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 175431729
6-Methyl-4-(2-methyl-2-morpholin-4-ylpropyl)-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
CID 175558356

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one?
The IUPAC name of ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one (CID 144803146) is ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one.
What is the SMILES notation for ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one?
The canonical SMILES for ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one is C=C/C=C\C(=C/C=C)C(=O)C(C)(C)N1CCOCC1.CC.
What is the InChIKey of ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one?
The InChIKey is VIYANZYONJWDOA-XZUBSDCWSA-N. The full InChI is InChI=1S/C16H23NO2.C2H6/c1-5-7-9-14(8-6-2)15(18)16(3,4)17-10-12-19-13-11-17;1-2/h5-9H,1-2,10-13H2,3-4H3;1-2H3/b9-7-,14-8+;.
What are the key properties of ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one?
ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one has a molecular weight of 291.44 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,5Z)-2-methyl-2-morpholin-4-yl-4-prop-2-enylideneocta-5,7-dien-3-one is sourced from PubChem (CID 144803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).