methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate

C11H15NO2 — CID 86116559

IUPACmethyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OC)C=C1C
InChIInChI=1S/C11H15NO2/c1-4-5-10-6-7-12(8-9(10)2)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3
InChIKeyHPOVWRBKNYIXTI-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.68
Rot. Bonds2

About methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate

methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate (PubChem CID 86116559) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate
PubChem CID86116559
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate
SMILESC=CCC1C=CN(C(=O)OC)C=C1C
InChIInChI=1S/C11H15NO2/c1-4-5-10-6-7-12(8-9(10)2)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3
InChIKeyHPOVWRBKNYIXTI-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-4H-pyridine-1-carboxylate
CID 12220932
methyl 4-butyl-1(4H)-pyridinecarboxylate
CID 12853361
methyl 4-ethyl-4H-pyridine-1-carboxylate
CID 12853362
methyl 4-prop-2-enyl-4H-pyridine-1-carboxylate
CID 13382555
4-Azabicyclo[5.1.0]octa-2,5-diene-4-carboxylic acid methyl ester
CID 71435944
methyl 3-methyl-4-propyl-4H-pyridine-1-carboxylate
CID 59252735
ethyl 4-isopropyl-3-methylpyridine-1(4H)-carboxylate
CID 90317966
Methyl 4-(propan-2-yl)pyridine-1(4H)-carboxylate
CID 12853363
ethyl 4-butan-2-yl-4H-pyridine-1-carboxylate
CID 12885283
Ethyl 4-(prop-2-en-1-yl)pyridine-1(4H)-carboxylate
CID 13427483
ethyl 4-but-3-enyl-4H-pyridine-1-carboxylate
CID 15093743
ethyl 4-(1,2-heptadienyl)-1(4H)-pyridinecarboxylate
CID 24978200

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate (CID 86116559) is methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate is C=CCC1C=CN(C(=O)OC)C=C1C.
What is the InChIKey of methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate?
The InChIKey is HPOVWRBKNYIXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-10-6-7-12(8-9(10)2)11(13)14-3/h4,6-8,10H,1,5H2,2-3H3.
What are the key properties of methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate?
methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-prop-2-enyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 86116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).