methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate

C10H11NO2 — CID 45102648

IUPACmethyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1cncc(C)c1
InChIInChI=1S/C10H11NO2/c1-8-5-9(7-11-6-8)3-4-10(12)13-2/h3-7H,1-2H3/b4-3-
InChIKeyMHOSIYKTPXFOCP-ARJAWSKDSA-N
MW177.20 g/mol
LogP1.58
Rot. Bonds2

About methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate

methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 45102648) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
PubChem CID45102648
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namemethyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1cncc(C)c1
InChIInChI=1S/C10H11NO2/c1-8-5-9(7-11-6-8)3-4-10(12)13-2/h3-7H,1-2H3/b4-3-
InChIKeyMHOSIYKTPXFOCP-ARJAWSKDSA-N
XLogP1.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.58
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

methyl (E)-3-[5-(4-methylphenyl)-3-pyridinyl]prop-2-enoate
CID 86756173
methyl 3-(5-acetyl-3-pyridinyl)prop-2-enoate
CID 169479062
methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
CID 169478967
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237
methyl 3-(5-cyano-3-pyridinyl)prop-2-enoate
CID 169478735
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(5-methyl-3-pyridinyl)hepta-1,6-diene-3,5-dione
CID 58556825
tert-butyl (E)-3-[5-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-3-pyridinyl]prop-2-enoate
CID 102051609
[1-oxo-1-(2-phenoxyanilino)propan-2-yl] (E)-3-(5-methyl-3-pyridinyl)prop-2-enoate
CID 166230046
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
ethyl 3-(5-chloro-3-pyridinyl)prop-2-enoate
CID 72747217

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate (CID 45102648) is methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate is COC(=O)/C=C\c1cncc(C)c1.
What is the InChIKey of methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is MHOSIYKTPXFOCP-ARJAWSKDSA-N. The full InChI is InChI=1S/C10H11NO2/c1-8-5-9(7-11-6-8)3-4-10(12)13-2/h3-7H,1-2H3/b4-3-.
What are the key properties of methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate?
methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 177.20 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(5-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 45102648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).