methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate

C15H21NO3 — CID 135066700

IUPACmethyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1c(C(C)(C)C)cc(OC)nc1C
InChIInChI=1S/C15H21NO3/c1-10-11(7-8-14(17)19-6)12(15(2,3)4)9-13(16-10)18-5/h7-9H,1-6H3/b8-7-
InChIKeyVIINWKKUYLIKTE-FPLPWBNLSA-N
MW263.34 g/mol
LogP2.88
Rot. Bonds3

About methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate

methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate (PubChem CID 135066700) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate
PubChem CID135066700
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C=C\c1c(C(C)(C)C)cc(OC)nc1C
InChIInChI=1S/C15H21NO3/c1-10-11(7-8-14(17)19-6)12(15(2,3)4)9-13(16-10)18-5/h7-9H,1-6H3/b8-7-
InChIKeyVIINWKKUYLIKTE-FPLPWBNLSA-N
XLogP2.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate (CID 135066700) is methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate is COC(=O)/C=C\c1c(C(C)(C)C)cc(OC)nc1C.
What is the InChIKey of methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate?
The InChIKey is VIINWKKUYLIKTE-FPLPWBNLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-11(7-8-14(17)19-6)12(15(2,3)4)9-13(16-10)18-5/h7-9H,1-6H3/b8-7-.
What are the key properties of methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate?
methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate has a molecular weight of 263.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-(4-tert-butyl-6-methoxy-2-methyl-3-pyridinyl)prop-2-enoate is sourced from PubChem (CID 135066700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).