4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine

C12H19NO — CID 12856185

IUPAC4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
SMILESC=C/C(=C\C=C(C)C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b12-6+
InChIKeyDMRNIHMDDONBKE-WUXMJOGZSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds3

About 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine

4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine (PubChem CID 12856185) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
PubChem CID12856185
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
SMILESC=C/C(=C\C=C(C)C)N1CCOCC1
InChIInChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b12-6+
InChIKeyDMRNIHMDDONBKE-WUXMJOGZSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-but-2-en-2-yl]morpholine
CID 12467373
Morpholine, 4-(3-methyl-2-butenyl)-
CID 12585158
4-[(2E)-5-methylhexa-2,4-dien-2-yl]morpholine
CID 12794203
4-(But-2-en-2-yl)morpholine
CID 53949343
4-(Morpholin-1-yl)phenylmagnesium bromide, 0.25 M in THF
CID 85865892
4-(4-Fluoropenta-1,3-dien-3-yl)morpholine
CID 123587571
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(1E,3E)-3-methylhexa-1,3-dienyl]morpholine
CID 12509071
4-(1-Cyclopenta-2,4-dien-1-ylideneethyl)morpholine
CID 85658611
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine?
The IUPAC name of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine (CID 12856185) is 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine.
What is the SMILES notation for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine?
The canonical SMILES for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine is C=C/C(=C\C=C(C)C)N1CCOCC1.
What is the InChIKey of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine?
The InChIKey is DMRNIHMDDONBKE-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-12(6-5-11(2)3)13-7-9-14-10-8-13/h4-6H,1,7-10H2,2-3H3/b12-6+.
What are the key properties of 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine?
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine is sourced from PubChem (CID 12856185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).