prop-2-enyl 2-ethenyl-2-formamidoheptanoate

C13H21NO3 — CID 173159966

IUPACprop-2-enyl 2-ethenyl-2-formamidoheptanoate
SMILESC=CCOC(=O)C(C=C)(CCCCC)NC=O
InChIInChI=1S/C13H21NO3/c1-4-7-8-9-13(6-3,14-11-15)12(16)17-10-5-2/h5-6,11H,2-4,7-10H2,1H3,(H,14,15)
InChIKeyWJNCRXJQVXXAOK-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.97
Rot. Bonds10

About prop-2-enyl 2-ethenyl-2-formamidoheptanoate

prop-2-enyl 2-ethenyl-2-formamidoheptanoate (PubChem CID 173159966) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is prop-2-enyl 2-ethenyl-2-formamidoheptanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-ethenyl-2-formamidoheptanoate
PubChem CID173159966
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameprop-2-enyl 2-ethenyl-2-formamidoheptanoate
SMILESC=CCOC(=O)C(C=C)(CCCCC)NC=O
InChIInChI=1S/C13H21NO3/c1-4-7-8-9-13(6-3,14-11-15)12(16)17-10-5-2/h5-6,11H,2-4,7-10H2,1H3,(H,14,15)
InChIKeyWJNCRXJQVXXAOK-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-O-methyl 3-O-prop-2-enyl 2,2-dipentylpropanedioate
CID 175116511
2-methylheptan-2-yloxy prop-2-enyl carbonate
CID 54006336
prop-2-enyl 2,2-dimethyl-3-oxononanoate
CID 13005781
pentyl 2-ethenyl-2-methylheptanoate
CID 87812089
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl pentadecanoate
CID 87531612
ethyl 2-methyl-2-(prop-2-enylamino)octanoate
CID 55063200
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
prop-2-enyl 2-oxooctadecanoate
CID 140945960
dipentyl 2-methyl-2-prop-2-enylpropanedioate
CID 171777546
ethenyl 2-methyl-2-propylheptanoate
CID 146579738

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-ethenyl-2-formamidoheptanoate?
The IUPAC name of prop-2-enyl 2-ethenyl-2-formamidoheptanoate (CID 173159966) is prop-2-enyl 2-ethenyl-2-formamidoheptanoate.
What is the SMILES notation for prop-2-enyl 2-ethenyl-2-formamidoheptanoate?
The canonical SMILES for prop-2-enyl 2-ethenyl-2-formamidoheptanoate is C=CCOC(=O)C(C=C)(CCCCC)NC=O.
What is the InChIKey of prop-2-enyl 2-ethenyl-2-formamidoheptanoate?
The InChIKey is WJNCRXJQVXXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-7-8-9-13(6-3,14-11-15)12(16)17-10-5-2/h5-6,11H,2-4,7-10H2,1H3,(H,14,15).
What are the key properties of prop-2-enyl 2-ethenyl-2-formamidoheptanoate?
prop-2-enyl 2-ethenyl-2-formamidoheptanoate has a molecular weight of 239.31 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-ethenyl-2-formamidoheptanoate is sourced from PubChem (CID 173159966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).