[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate

C18H23NO — CID 134194749

IUPAC[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate
SMILESC=C/C=C\N=C(/C=C)O/C(C=C)=C/C=C(\C=C)C(C)C
InChIInChI=1S/C18H23NO/c1-7-11-14-19-18(10-4)20-17(9-3)13-12-16(8-2)15(5)6/h7-15H,1-4H2,5-6H3/b14-11-,16-12+,17-13+,19-18+
InChIKeyFOGQZLYHVHRGNW-VWQCFVIGSA-N
MW269.39 g/mol
LogP5.13
Rot. Bonds8

About [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate

[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate (PubChem CID 134194749) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate.

Molecular Properties

Compound Name[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate
PubChem CID134194749
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate
SMILESC=C/C=C\N=C(/C=C)O/C(C=C)=C/C=C(\C=C)C(C)C
InChIInChI=1S/C18H23NO/c1-7-11-14-19-18(10-4)20-17(9-3)13-12-16(8-2)15(5)6/h7-15H,1-4H2,5-6H3/b14-11-,16-12+,17-13+,19-18+
InChIKeyFOGQZLYHVHRGNW-VWQCFVIGSA-N
XLogP5.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate?
The IUPAC name of [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate (CID 134194749) is [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate.
What is the SMILES notation for [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate?
The canonical SMILES for [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate is C=C/C=C\N=C(/C=C)O/C(C=C)=C/C=C(\C=C)C(C)C.
What is the InChIKey of [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate?
The InChIKey is FOGQZLYHVHRGNW-VWQCFVIGSA-N. The full InChI is InChI=1S/C18H23NO/c1-7-11-14-19-18(10-4)20-17(9-3)13-12-16(8-2)15(5)6/h7-15H,1-4H2,5-6H3/b14-11-,16-12+,17-13+,19-18+.
What are the key properties of [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate?
[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate has a molecular weight of 269.39 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl] N-[(1Z)-buta-1,3-dienyl]prop-2-enimidate is sourced from PubChem (CID 134194749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).