[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate

C10H17NO2 — CID 71502230

IUPAC[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate
SMILESC=C(/C=C/CCC)OC(=O)NCC
InChIInChI=1S/C10H17NO2/c1-4-6-7-8-9(3)13-10(12)11-5-2/h7-8H,3-6H2,1-2H3,(H,11,12)/b8-7+
InChIKeyFKOGQPFWCDDFKE-BQYQJAHWSA-N
MW183.25 g/mol
LogP2.60
Rot. Bonds5

About [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate

[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate (PubChem CID 71502230) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate
PubChem CID71502230
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate
SMILESC=C(/C=C/CCC)OC(=O)NCC
InChIInChI=1S/C10H17NO2/c1-4-6-7-8-9(3)13-10(12)11-5-2/h7-8H,3-6H2,1-2H3,(H,11,12)/b8-7+
InChIKeyFKOGQPFWCDDFKE-BQYQJAHWSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
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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Related Compounds

(4-fluorocyclohexa-1,5-dien-1-yl) N-methylcarbamate
CID 89133338
[(4S)-4-fluorocyclohexa-1,5-dien-1-yl] N-ethylcarbamate
CID 118242220
[(3Z)-5-fluoropenta-1,3-dien-2-yl] N-ethylcarbamate
CID 144202135
(2-fluorocyclohexa-1,5-dien-1-yl) N-ethylcarbamate
CID 144202138
[(3Z)-5-fluorohexa-1,3,5-trien-2-yl] N-ethylcarbamate
CID 144202151
[(2Z,4Z)-2-fluorohepta-2,4-dien-3-yl] N-ethylcarbamate
CID 144202160
cyclohexa-1,5-dien-1-yl N-methylcarbamate
CID 21513146
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
prop-2-enyl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895295
prop-1-en-2-yl N-[(2E,6Z)-nona-2,6-dienyl]carbamate
CID 58895298
prop-2-enyl N-nona-2,6-dienylcarbamate
CID 72456020
prop-1-en-2-yl N-nona-2,6-dienylcarbamate
CID 72456023

Frequently Asked Questions

What is the IUPAC name of [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate?
The IUPAC name of [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate (CID 71502230) is [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate.
What is the SMILES notation for [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate?
The canonical SMILES for [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate is C=C(/C=C/CCC)OC(=O)NCC.
What is the InChIKey of [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate?
The InChIKey is FKOGQPFWCDDFKE-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-7-8-9(3)13-10(12)11-5-2/h7-8H,3-6H2,1-2H3,(H,11,12)/b8-7+.
What are the key properties of [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate?
[(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hepta-1,3-dien-2-yl] N-ethylcarbamate is sourced from PubChem (CID 71502230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).