1-methyl-4-propan-2-ylidenepyridine

C9H13N — CID 21033002

IUPAC1-methyl-4-propan-2-ylidenepyridine
SMILESCC(C)=C1C=CN(C)C=C1
InChIInChI=1S/C9H13N/c1-8(2)9-4-6-10(3)7-5-9/h4-7H,1-3H3
InChIKeyPCBUYSIMXZRMOF-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.30
Rot. Bonds

About 1-methyl-4-propan-2-ylidenepyridine

1-methyl-4-propan-2-ylidenepyridine (PubChem CID 21033002) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylidenepyridine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylidenepyridine
PubChem CID21033002
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name1-methyl-4-propan-2-ylidenepyridine
SMILESCC(C)=C1C=CN(C)C=C1
InChIInChI=1S/C9H13N/c1-8(2)9-4-6-10(3)7-5-9/h4-7H,1-3H3
InChIKeyPCBUYSIMXZRMOF-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylidenepyridine?
The IUPAC name of 1-methyl-4-propan-2-ylidenepyridine (CID 21033002) is 1-methyl-4-propan-2-ylidenepyridine.
What is the SMILES notation for 1-methyl-4-propan-2-ylidenepyridine?
The canonical SMILES for 1-methyl-4-propan-2-ylidenepyridine is CC(C)=C1C=CN(C)C=C1.
What is the InChIKey of 1-methyl-4-propan-2-ylidenepyridine?
The InChIKey is PCBUYSIMXZRMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8(2)9-4-6-10(3)7-5-9/h4-7H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylidenepyridine?
1-methyl-4-propan-2-ylidenepyridine has a molecular weight of 135.21 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylidenepyridine is sourced from PubChem (CID 21033002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).