5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one

C12H17NO2 — CID 143344210

IUPAC5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one
SMILESCC/C=C(\C=C/c1cn(C)c(=O)o1)CC
InChIInChI=1S/C12H17NO2/c1-4-6-10(5-2)7-8-11-9-13(3)12(14)15-11/h6-9H,4-5H2,1-3H3/b8-7-,10-6-
InChIKeyQFYDZKNSMZAGEZ-OYIUBJQVSA-N
MW207.27 g/mol
LogP2.74
Rot. Bonds4

About 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one

5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one (PubChem CID 143344210) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one
PubChem CID143344210
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one
SMILESCC/C=C(\C=C/c1cn(C)c(=O)o1)CC
InChIInChI=1S/C12H17NO2/c1-4-6-10(5-2)7-8-11-9-13(3)12(14)15-11/h6-9H,4-5H2,1-3H3/b8-7-,10-6-
InChIKeyQFYDZKNSMZAGEZ-OYIUBJQVSA-N
XLogP2.74
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethylhepta-2,4,6-trien-3-yl N,N-dimethylcarbamate
CID 123912105
pentalen-2-yl N,N-diethylcarbamate
CID 141609776
ethane;5-ethenyl-3-methyl-1,3-oxazol-2-one;(E)-3-methylpent-2-ene
CID 143344464
3-ethyl-5-[(1Z,3Z)-3-ethylpenta-1,3-dienyl]-4-methyl-1,3-oxazol-2-one
CID 143588735
3-methyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-4-[(Z)-prop-1-enyl]-1,3-oxazol-2-one
CID 166472177
[(3E)-5-methylidenehepta-1,3-dien-3-yl] N-ethyl-N-methylcarbamate
CID 168180885

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one?
The IUPAC name of 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one (CID 143344210) is 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one?
The canonical SMILES for 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one is CC/C=C(\C=C/c1cn(C)c(=O)o1)CC.
What is the InChIKey of 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one?
The InChIKey is QFYDZKNSMZAGEZ-OYIUBJQVSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-6-10(5-2)7-8-11-9-13(3)12(14)15-11/h6-9H,4-5H2,1-3H3/b8-7-,10-6-.
What are the key properties of 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one?
5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one has a molecular weight of 207.27 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3Z)-3-ethylhexa-1,3-dienyl]-3-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 143344210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).