1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine

C14H19NO — CID 164911221

IUPAC1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine
SMILESC=C1C(OC)=CC(C)=CN1/C=C(\C)C1CC1
InChIInChI=1S/C14H19NO/c1-10-7-14(16-4)12(3)15(8-10)9-11(2)13-5-6-13/h7-9,13H,3,5-6H2,1-2,4H3/b11-9+
InChIKeyLGMXSSHHNDODTE-PKNBQFBNSA-N
MW217.31 g/mol
LogP3.56
Rot. Bonds3

About 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine

1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine (PubChem CID 164911221) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine
PubChem CID164911221
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine
SMILESC=C1C(OC)=CC(C)=CN1/C=C(\C)C1CC1
InChIInChI=1S/C14H19NO/c1-10-7-14(16-4)12(3)15(8-10)9-11(2)13-5-6-13/h7-9,13H,3,5-6H2,1-2,4H3/b11-9+
InChIKeyLGMXSSHHNDODTE-PKNBQFBNSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine?
The IUPAC name of 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine (CID 164911221) is 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine?
The canonical SMILES for 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine is C=C1C(OC)=CC(C)=CN1/C=C(\C)C1CC1.
What is the InChIKey of 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine?
The InChIKey is LGMXSSHHNDODTE-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-14(16-4)12(3)15(8-10)9-11(2)13-5-6-13/h7-9,13H,3,5-6H2,1-2,4H3/b11-9+.
What are the key properties of 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine?
1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine has a molecular weight of 217.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine is sourced from PubChem (CID 164911221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).