methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate

C14H15NO3 — CID 2844829

IUPACmethyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)O/C(=C2/C=CC=CN2)C(C)=C1
InChIInChI=1S/C14H15NO3/c1-9-8-11(14(16)17-3)10(2)18-13(9)12-6-4-5-7-15-12/h4-8,15H,1-3H3/b13-12-
InChIKeyBVBSRWILZKLUQR-SEYXRHQNSA-N
MW245.28 g/mol
LogP2.29
Rot. Bonds1

About methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate

methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate (PubChem CID 2844829) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate.

Molecular Properties

Compound Namemethyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate
PubChem CID2844829
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate
SMILESCOC(=O)C1=C(C)O/C(=C2/C=CC=CN2)C(C)=C1
InChIInChI=1S/C14H15NO3/c1-9-8-11(14(16)17-3)10(2)18-13(9)12-6-4-5-7-15-12/h4-8,15H,1-3H3/b13-12-
InChIKeyBVBSRWILZKLUQR-SEYXRHQNSA-N
XLogP2.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate?
The IUPAC name of methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate (CID 2844829) is methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate.
What is the SMILES notation for methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate?
The canonical SMILES for methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate is COC(=O)C1=C(C)O/C(=C2/C=CC=CN2)C(C)=C1.
What is the InChIKey of methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate?
The InChIKey is BVBSRWILZKLUQR-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-8-11(14(16)17-3)10(2)18-13(9)12-6-4-5-7-15-12/h4-8,15H,1-3H3/b13-12-.
What are the key properties of methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate?
methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6Z)-2,5-dimethyl-6-(1H-pyridin-2-ylidene)pyran-3-carboxylate is sourced from PubChem (CID 2844829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).