[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen

C17H25NO2 — CID 145369874

IUPAC[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen
SMILESC=C/C=C\C(=C/C)CNC(=O)OC/C(C=C)=C/C=C\C.[H][H]
InChIInChI=1S/C17H23NO2.H2/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;/h5-12H,1,4,13-14H2,2-3H3,(H,18,19);1H/b10-6-,11-9-,15-7+,16-12+;
InChIKeyKMRZHOBUENYIHM-JMJQXCDFSA-N
MW275.39 g/mol
LogP4.34
Rot. Bonds8

About [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen

[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen (PubChem CID 145369874) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen
PubChem CID145369874
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen
SMILESC=C/C=C\C(=C/C)CNC(=O)OC/C(C=C)=C/C=C\C.[H][H]
InChIInChI=1S/C17H23NO2.H2/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;/h5-12H,1,4,13-14H2,2-3H3,(H,18,19);1H/b10-6-,11-9-,15-7+,16-12+;
InChIKeyKMRZHOBUENYIHM-JMJQXCDFSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] N-ethylcarbamate
CID 10637503
cyclohexa-1,5-dien-1-ylmethyl N-(2,2-difluoropropyl)carbamate;ethane
CID 144307217
cyclohexa-1,5-dien-1-ylmethyl N-(2,2-difluoropropyl)carbamate
CID 144307218
4-ethylhexa-2,4-dienyl N-ethylcarbamate
CID 54121747
3,7,11-trimethyldodeca-2,6,10-trienyl N-ethylcarbamate
CID 54147271
3,7,11-trimethyldodeca-2,6,10-trienyl N-(3,7,11-trimethyldodeca-2,6,10-trienyl)carbamate
CID 54405245
[(2E)-4-(carbamoyloxymethyl)penta-2,4-dienyl] N-methylcarbamate
CID 58805071
[(E)-5-hydroxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
CID 58805083
[(E)-5-carbamoyloxy-2-methylidenepent-3-enyl] N-propan-2-ylcarbamate
CID 58805110
[(E)-5-carbamoyloxy-2-methylidenepent-3-enyl] N-methylcarbamate
CID 58805114
prop-2-enyl N-[(2Z)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895266
prop-2-enyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 58895267

Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen?
The IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen (CID 145369874) is [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen.
What is the SMILES notation for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen?
The canonical SMILES for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen is C=C/C=C\C(=C/C)CNC(=O)OC/C(C=C)=C/C=C\C.[H][H].
What is the InChIKey of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen?
The InChIKey is KMRZHOBUENYIHM-JMJQXCDFSA-N. The full InChI is InChI=1S/C17H23NO2.H2/c1-5-9-11-15(7-3)13-18-17(19)20-14-16(8-4)12-10-6-2;/h5-12H,1,4,13-14H2,2-3H3,(H,18,19);1H/b10-6-,11-9-,15-7+,16-12+;.
What are the key properties of [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen?
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen has a molecular weight of 275.39 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethenylhexa-2,4-dienyl] N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]carbamate;molecular hydrogen is sourced from PubChem (CID 145369874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).