[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate

C11H17NO2 — CID 143244884

IUPAC[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
SMILESC=C/C=C(\C=C/CC)COC(=O)NC
InChIInChI=1S/C11H17NO2/c1-4-6-8-10(7-5-2)9-14-11(13)12-3/h5-8H,2,4,9H2,1,3H3,(H,12,13)/b8-6-,10-7+
InChIKeyJCFQKFAXZIDZMR-GOOBONSCSA-N
MW195.26 g/mol
LogP2.42
Rot. Bonds5

About [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate

[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate (PubChem CID 143244884) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate.

Molecular Properties

Compound Name[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
PubChem CID143244884
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate
SMILESC=C/C=C(\C=C/CC)COC(=O)NC
InChIInChI=1S/C11H17NO2/c1-4-6-8-10(7-5-2)9-14-11(13)12-3/h5-8H,2,4,9H2,1,3H3,(H,12,13)/b8-6-,10-7+
InChIKeyJCFQKFAXZIDZMR-GOOBONSCSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.42
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)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
ethyl N-methylcarbamate;formaldehyde
CID 160650405
(2Z,4E)-4-(methoxymethyl)-N-methylhepta-2,4,6-trien-1-amine
CID 130330265
(3Z,6Z,7Z)-6-ethylidene-4-[(Z)-prop-1-enyl]deca-1,3,7-triene
CID 144556498
(Z,3E)-N,2-dimethyl-3-prop-2-enylidenehept-4-enamide
CID 170070628
[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl] 3-amino-3-oxopropanoate
CID 138666186
2-[[(Z,3Z)-3-prop-2-enylidenehept-4-enyl]amino]ethanol
CID 143653650
[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate
CID 167457849
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
chloromethane;[(Z,2E)-2-ethylidenehex-3-enyl] 2-aminoacetate
CID 145241824
[(2E)-2-ethenylpenta-2,4-dienyl] N-(propan-2-ylsulfamoyl)carbamate
CID 176960455
(1Z,3Z,5Z,7Z)-N-ethyl-3-prop-2-enylidenedeca-1,5,7-trien-1-amine
CID 166724369

Frequently Asked Questions

What is the IUPAC name of [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate?
The IUPAC name of [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate (CID 143244884) is [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate.
What is the SMILES notation for [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate?
The canonical SMILES for [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate is C=C/C=C(\C=C/CC)COC(=O)NC.
What is the InChIKey of [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate?
The InChIKey is JCFQKFAXZIDZMR-GOOBONSCSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-8-10(7-5-2)9-14-11(13)12-3/h5-8H,2,4,9H2,1,3H3,(H,12,13)/b8-6-,10-7+.
What are the key properties of [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate?
[(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2E)-2-prop-2-enylidenehex-3-enyl] N-methylcarbamate is sourced from PubChem (CID 143244884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).