nona-2,3-dienylcarbamoyl prop-2-enoate

C13H19NO3 — CID 141295889

IUPACnona-2,3-dienylcarbamoyl prop-2-enoate
SMILESC=CC(=O)OC(=O)NCC=C=CCCCCC
InChIInChI=1S/C13H19NO3/c1-3-5-6-7-8-9-10-11-14-13(16)17-12(15)4-2/h4,8,10H,2-3,5-7,11H2,1H3,(H,14,16)
InChIKeyWZYNJRHNMLZBNN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.72
Rot. Bonds7

About nona-2,3-dienylcarbamoyl prop-2-enoate

nona-2,3-dienylcarbamoyl prop-2-enoate (PubChem CID 141295889) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is nona-2,3-dienylcarbamoyl prop-2-enoate.

Molecular Properties

Compound Namenona-2,3-dienylcarbamoyl prop-2-enoate
PubChem CID141295889
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namenona-2,3-dienylcarbamoyl prop-2-enoate
SMILESC=CC(=O)OC(=O)NCC=C=CCCCCC
InChIInChI=1S/C13H19NO3/c1-3-5-6-7-8-9-10-11-14-13(16)17-12(15)4-2/h4,8,10H,2-3,5-7,11H2,1H3,(H,14,16)
InChIKeyWZYNJRHNMLZBNN-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-undeca-4,5-dienylcarbamate
CID 102467257
N-prop-2-enoylnona-2,3-dienamide
CID 176543115
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
pentacosa-12,13-diene
CID 174365678
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
dimethyl 2-nona-2,3-dienyl-2-prop-2-enylpropanedioate
CID 11415174
prop-2-enoyl 2-methylideneheptanoate
CID 87194277
octadeca-5,6-diene
CID 141110817
pentadeca-1,4,5-triene
CID 174394424
prop-2-enoyl tetradecanoate
CID 157201572
hept-1-enyl prop-2-enoate
CID 91566435
ethyl trideca-3,4-dienoate
CID 24976454

Frequently Asked Questions

What is the IUPAC name of nona-2,3-dienylcarbamoyl prop-2-enoate?
The IUPAC name of nona-2,3-dienylcarbamoyl prop-2-enoate (CID 141295889) is nona-2,3-dienylcarbamoyl prop-2-enoate.
What is the SMILES notation for nona-2,3-dienylcarbamoyl prop-2-enoate?
The canonical SMILES for nona-2,3-dienylcarbamoyl prop-2-enoate is C=CC(=O)OC(=O)NCC=C=CCCCCC.
What is the InChIKey of nona-2,3-dienylcarbamoyl prop-2-enoate?
The InChIKey is WZYNJRHNMLZBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-5-6-7-8-9-10-11-14-13(16)17-12(15)4-2/h4,8,10H,2-3,5-7,11H2,1H3,(H,14,16).
What are the key properties of nona-2,3-dienylcarbamoyl prop-2-enoate?
nona-2,3-dienylcarbamoyl prop-2-enoate has a molecular weight of 237.30 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,3-dienylcarbamoyl prop-2-enoate is sourced from PubChem (CID 141295889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).