ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one

C14H23NO2 — CID 144607182

IUPACethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one
SMILESC=C(C)/C=C\C(=C/C)N1CCOCC1=O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-4-11(6-5-10(2)3)13-7-8-15-9-12(13)14;1-2/h4-6H,2,7-9H2,1,3H3;1-2H3/b6-5-,11-4-;
InChIKeyWOVQXUUYBMZWKY-ONKJKXFZSA-N
MW237.34 g/mol
LogP2.91
Rot. Bonds3

About ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one

ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one (PubChem CID 144607182) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one.

Molecular Properties

Compound Nameethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one
PubChem CID144607182
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one
SMILESC=C(C)/C=C\C(=C/C)N1CCOCC1=O.CC
InChIInChI=1S/C12H17NO2.C2H6/c1-4-11(6-5-10(2)3)13-7-8-15-9-12(13)14;1-2/h4-6H,2,7-9H2,1,3H3;1-2H3/b6-5-,11-4-;
InChIKeyWOVQXUUYBMZWKY-ONKJKXFZSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one?
The IUPAC name of ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one (CID 144607182) is ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one.
What is the SMILES notation for ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one?
The canonical SMILES for ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one is C=C(C)/C=C\C(=C/C)N1CCOCC1=O.CC.
What is the InChIKey of ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one?
The InChIKey is WOVQXUUYBMZWKY-ONKJKXFZSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-4-11(6-5-10(2)3)13-7-8-15-9-12(13)14;1-2/h4-6H,2,7-9H2,1,3H3;1-2H3/b6-5-,11-4-;.
What are the key properties of ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one?
ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one has a molecular weight of 237.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholin-3-one is sourced from PubChem (CID 144607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).