ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate

C14H15NO2 — CID 177450107

IUPACethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate
SMILESCCOC(=O)/N=C/C=C\C=C/c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)15-12-8-4-7-11-13-9-5-3-6-10-13/h3-12H,2H2,1H3/b8-4-,11-7-,15-12+
InChIKeyDYAVESCQAHKLCE-UGHPFILBSA-N
MW229.28 g/mol
LogP3.48
Rot. Bonds4

About ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate

ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate (PubChem CID 177450107) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate.

Molecular Properties

Compound Nameethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate
PubChem CID177450107
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate
SMILESCCOC(=O)/N=C/C=C\C=C/c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-17-14(16)15-12-8-4-7-11-13-9-5-3-6-10-13/h3-12H,2H2,1H3/b8-4-,11-7-,15-12+
InChIKeyDYAVESCQAHKLCE-UGHPFILBSA-N
XLogP3.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
tert-butyl (NE)-N-[(E)-3-phenylprop-2-enylidene]carbamate
CID 11195611
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
ethyl (E)-5-methyl-2-[[(E)-3-phenylprop-2-enylidene]amino]hex-2-enoate;methanamine;methylsulfanylmethane
CID 143290615
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl N-but-2-enylidenecarbamate
CID 123386584
ethyl 2-[[(Z)-3-phenylprop-2-enylidene]amino]benzoate
CID 122707288
diethyl (2S)-2-[(2E,4E)-5-phenylpenta-2,4-dienoyl]oxybutanedioate
CID 168973637
ethyl (NE)-N-[(E)-1-cyano-3-phenylprop-2-enylidene]carbamate
CID 134881235
ethyl 6-phenylhexa-2,3,5-trienoate
CID 54037447
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219

Frequently Asked Questions

What is the IUPAC name of ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate?
The IUPAC name of ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate (CID 177450107) is ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate.
What is the SMILES notation for ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate?
The canonical SMILES for ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate is CCOC(=O)/N=C/C=C\C=C/c1ccccc1.
What is the InChIKey of ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate?
The InChIKey is DYAVESCQAHKLCE-UGHPFILBSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-17-14(16)15-12-8-4-7-11-13-9-5-3-6-10-13/h3-12H,2H2,1H3/b8-4-,11-7-,15-12+.
What are the key properties of ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate?
ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate has a molecular weight of 229.28 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (NE)-N-[(2Z,4Z)-5-phenylpenta-2,4-dienylidene]carbamate is sourced from PubChem (CID 177450107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).