[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate

C10H15NO — CID 130278986

IUPAC[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
SMILESC=C/C=C\C(=C)O/C(C)=N/CC
InChIInChI=1S/C10H15NO/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7-,11-10+
InChIKeyUORFBNZVRFWTPD-QEFCTBRHSA-N
MW165.24 g/mol
LogP2.70
Rot. Bonds4

About [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate

[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate (PubChem CID 130278986) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate.

Molecular Properties

Compound Name[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
PubChem CID130278986
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate
SMILESC=C/C=C\C(=C)O/C(C)=N/CC
InChIInChI=1S/C10H15NO/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7-,11-10+
InChIKeyUORFBNZVRFWTPD-QEFCTBRHSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.70
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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Related Compounds

N-ethyl-3-methylidenehepta-4,6-dien-2-imine
CID 123979704
ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
CID 145045584
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
(3Z,5Z)-5-ethylhepta-1,3,5-triene;2-methylbuta-1,3-diene
CID 162361818
ethane;(Z)-[(4Z)-hepta-4,6-dien-3-ylidene]hydrazine
CID 165132847
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079
N-[(1Z)-buta-1,3-dienyl]butan-2-imine
CID 142112981

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate?
The IUPAC name of [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate (CID 130278986) is [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate.
What is the SMILES notation for [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate?
The canonical SMILES for [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate is C=C/C=C\C(=C)O/C(C)=N/CC.
What is the InChIKey of [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate?
The InChIKey is UORFBNZVRFWTPD-QEFCTBRHSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-7-8-9(3)12-10(4)11-6-2/h5,7-8H,1,3,6H2,2,4H3/b8-7-,11-10+.
What are the key properties of [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate?
[(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate has a molecular weight of 165.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hexa-1,3,5-trien-2-yl] N-ethylethanimidate is sourced from PubChem (CID 130278986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).