[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate

C10H15NO2 — CID 146187277

IUPAC[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate
SMILESC=C(/C=C\C(=C/C)COC=O)NC
InChIInChI=1S/C10H15NO2/c1-4-10(7-13-8-12)6-5-9(2)11-3/h4-6,8,11H,2,7H2,1,3H3/b6-5-,10-4+
InChIKeyDWIWIJDBBJQPTM-QYONPMAVSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

About [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate

[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate (PubChem CID 146187277) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate.

Molecular Properties

Compound Name[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate
PubChem CID146187277
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate
SMILESC=C(/C=C\C(=C/C)COC=O)NC
InChIInChI=1S/C10H15NO2/c1-4-10(7-13-8-12)6-5-9(2)11-3/h4-6,8,11H,2,7H2,1,3H3/b6-5-,10-4+
InChIKeyDWIWIJDBBJQPTM-QYONPMAVSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-2-ethenyl-5-(methylamino)hepta-2,4,6-trienyl] formate
CID 132235317
(2E,4Z)-6-(ethoxymethyl)-N-methylhepta-2,4,6-trien-3-amine
CID 137505293
[3-Methyl-6-(methylamino)cyclohepta-1,3,5-trien-1-yl]methyl formate
CID 139506523
4-(methoxymethyl)-N-methylcyclohepta-1,3,5-trien-1-amine
CID 139566586
(2E,4E,6Z)-5-(methoxymethyl)-N-methylocta-2,4,6-trien-2-amine
CID 139566640
CID 141810572
CID 141810572
[(3Z)-2-methyl-4-(methylamino)hexa-1,3,5-trien-3-yl] formate
CID 142266633
(3Z)-N,2-dimethylpenta-1,3-dien-3-amine;[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] formate
CID 144533516
[(3Z)-5-(methylamino)-2-methylidenehexa-3,5-dienyl] N-methylcarbamate
CID 153595986
ethane;[(3Z)-5-(methylamino)-2-methylidenehexa-3,5-dienyl] N-methylcarbamate
CID 153595991
ethane;[(3Z)-5-(methylamino)-2-methylidenehexa-3,5-dienyl] N-methylcarbamate
CID 153595996
ethane;[(3Z)-5-(methylamino)-2-methylidenehexa-3,5-dienyl] acetate
CID 154643546

Frequently Asked Questions

What is the IUPAC name of [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate?
The IUPAC name of [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate (CID 146187277) is [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate.
What is the SMILES notation for [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate?
The canonical SMILES for [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate is C=C(/C=C\C(=C/C)COC=O)NC.
What is the InChIKey of [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate?
The InChIKey is DWIWIJDBBJQPTM-QYONPMAVSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-10(7-13-8-12)6-5-9(2)11-3/h4-6,8,11H,2,7H2,1,3H3/b6-5-,10-4+.
What are the key properties of [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate?
[(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,3Z)-2-ethylidene-5-(methylamino)hexa-3,5-dienyl] formate is sourced from PubChem (CID 146187277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).