[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate

C11H17NO2 — CID 143885710

IUPAC[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate
SMILESC=C/C=C(\C=C/C)OC(=O)N(C)CC
InChIInChI=1S/C11H17NO2/c1-5-8-10(9-6-2)14-11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+
InChIKeyGUBQBLQQJGHFFZ-NULKZJHKSA-N
MW195.26 g/mol
LogP2.72
Rot. Bonds4

About [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate

[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate (PubChem CID 143885710) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate
PubChem CID143885710
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate
SMILESC=C/C=C(\C=C/C)OC(=O)N(C)CC
InChIInChI=1S/C11H17NO2/c1-5-8-10(9-6-2)14-11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+
InChIKeyGUBQBLQQJGHFFZ-NULKZJHKSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate (CID 143885710) is [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate is C=C/C=C(\C=C/C)OC(=O)N(C)CC.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate?
The InChIKey is GUBQBLQQJGHFFZ-NULKZJHKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-8-10(9-6-2)14-11(13)12(4)7-3/h5-6,8-9H,1,7H2,2-4H3/b9-6-,10-8+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate?
[(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-4-yl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 143885710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).