propyl 3-pyridin-3-ylprop-2-enoate

C11H13NO2 — CID 3752856

IUPACpropyl 3-pyridin-3-ylprop-2-enoate
SMILESCCCOC(=O)C=Cc1cccnc1
InChIInChI=1S/C11H13NO2/c1-2-8-14-11(13)6-5-10-4-3-7-12-9-10/h3-7,9H,2,8H2,1H3
InChIKeySUHNQOBJXLDTQG-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds4

About propyl 3-pyridin-3-ylprop-2-enoate

propyl 3-pyridin-3-ylprop-2-enoate (PubChem CID 3752856) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is propyl 3-pyridin-3-ylprop-2-enoate.

Molecular Properties

Compound Namepropyl 3-pyridin-3-ylprop-2-enoate
PubChem CID3752856
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namepropyl 3-pyridin-3-ylprop-2-enoate
SMILESCCCOC(=O)C=Cc1cccnc1
InChIInChI=1S/C11H13NO2/c1-2-8-14-11(13)6-5-10-4-3-7-12-9-10/h3-7,9H,2,8H2,1H3
InChIKeySUHNQOBJXLDTQG-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
(E)-1-pyridin-3-yloct-1-en-3-one
CID 70109374
propyl 3-(4-aminophenyl)prop-2-enoate
CID 154395217
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
propyl 3-(3-butoxyphenyl)prop-2-enoate
CID 130331772
propyl 3-(3-phenylphenyl)prop-2-enoate
CID 135124125
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940
propyl 3-(4-chlorophenyl)prop-2-enoate
CID 73010685
propyl 3-(4-iodophenyl)prop-2-enoate
CID 140807754
propyl (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 19177097
propyl 3-(3-butan-2-yloxyphenyl)prop-2-enoate
CID 140807788
propyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 158296858

Frequently Asked Questions

What is the IUPAC name of propyl 3-pyridin-3-ylprop-2-enoate?
The IUPAC name of propyl 3-pyridin-3-ylprop-2-enoate (CID 3752856) is propyl 3-pyridin-3-ylprop-2-enoate.
What is the SMILES notation for propyl 3-pyridin-3-ylprop-2-enoate?
The canonical SMILES for propyl 3-pyridin-3-ylprop-2-enoate is CCCOC(=O)C=Cc1cccnc1.
What is the InChIKey of propyl 3-pyridin-3-ylprop-2-enoate?
The InChIKey is SUHNQOBJXLDTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-8-14-11(13)6-5-10-4-3-7-12-9-10/h3-7,9H,2,8H2,1H3.
What are the key properties of propyl 3-pyridin-3-ylprop-2-enoate?
propyl 3-pyridin-3-ylprop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-pyridin-3-ylprop-2-enoate is sourced from PubChem (CID 3752856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).