pent-1-en-3-yl 4-carbamoylbenzoate

C13H15NO3 — CID 86782375

IUPACpent-1-en-3-yl 4-carbamoylbenzoate
SMILESC=CC(CC)OC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H15NO3/c1-3-11(4-2)17-13(16)10-7-5-9(6-8-10)12(14)15/h3,5-8,11H,1,4H2,2H3,(H2,14,15)
InChIKeyDFCWTOFALXQNBP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.91
Rot. Bonds5

About pent-1-en-3-yl 4-carbamoylbenzoate

pent-1-en-3-yl 4-carbamoylbenzoate (PubChem CID 86782375) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is pent-1-en-3-yl 4-carbamoylbenzoate.

Molecular Properties

Compound Namepent-1-en-3-yl 4-carbamoylbenzoate
PubChem CID86782375
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namepent-1-en-3-yl 4-carbamoylbenzoate
SMILESC=CC(CC)OC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H15NO3/c1-3-11(4-2)17-13(16)10-7-5-9(6-8-10)12(14)15/h3,5-8,11H,1,4H2,2H3,(H2,14,15)
InChIKeyDFCWTOFALXQNBP-UHFFFAOYSA-N
XLogP1.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pent-1-en-3-yl 2-hydroxybenzoate
CID 11701252
pent-1-en-3-yl 5-fluoropyridine-3-carboxylate
CID 86782372
[(3S)-pent-1-en-3-yl] 6-methylpyridine-2-carboxylate
CID 99851419
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
5-hydroxypent-1-en-3-yl benzoate
CID 14375637
bis(1-ethenoxybutyl) benzene-1,4-dicarboxylate
CID 69124445
[(E)-hex-4-en-3-yl] benzoate
CID 134896656
4-(3-methylpentan-2-yl)benzamide
CID 126657369
[(2R)-2,4-dibenzoyloxyhex-5-enyl] benzoate
CID 139697958
1-aminopropyl benzoate;copper
CID 70588917
(6-oxo-6-phenylhex-1-en-3-yl) benzoate
CID 132598620
[(4R)-4-(4-ethenylbenzoyl)oxypentyl] 4-ethenylbenzoate
CID 101015957

Frequently Asked Questions

What is the IUPAC name of pent-1-en-3-yl 4-carbamoylbenzoate?
The IUPAC name of pent-1-en-3-yl 4-carbamoylbenzoate (CID 86782375) is pent-1-en-3-yl 4-carbamoylbenzoate.
What is the SMILES notation for pent-1-en-3-yl 4-carbamoylbenzoate?
The canonical SMILES for pent-1-en-3-yl 4-carbamoylbenzoate is C=CC(CC)OC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of pent-1-en-3-yl 4-carbamoylbenzoate?
The InChIKey is DFCWTOFALXQNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-3-11(4-2)17-13(16)10-7-5-9(6-8-10)12(14)15/h3,5-8,11H,1,4H2,2H3,(H2,14,15).
What are the key properties of pent-1-en-3-yl 4-carbamoylbenzoate?
pent-1-en-3-yl 4-carbamoylbenzoate has a molecular weight of 233.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-en-3-yl 4-carbamoylbenzoate is sourced from PubChem (CID 86782375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).