2-methylidene-5-propan-2-yl-1H-pyridine

C9H13N — CID 21050415

IUPAC2-methylidene-5-propan-2-yl-1H-pyridine
SMILESC=C1C=CC(C(C)C)=CN1
InChIInChI=1S/C9H13N/c1-7(2)9-5-4-8(3)10-6-9/h4-7,10H,3H2,1-2H3
InChIKeyLVKAJXXXQHJGAJ-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.20
Rot. Bonds1

About 2-methylidene-5-propan-2-yl-1H-pyridine

2-methylidene-5-propan-2-yl-1H-pyridine (PubChem CID 21050415) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2-methylidene-5-propan-2-yl-1H-pyridine.

Molecular Properties

Compound Name2-methylidene-5-propan-2-yl-1H-pyridine
PubChem CID21050415
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2-methylidene-5-propan-2-yl-1H-pyridine
SMILESC=C1C=CC(C(C)C)=CN1
InChIInChI=1S/C9H13N/c1-7(2)9-5-4-8(3)10-6-9/h4-7,10H,3H2,1-2H3
InChIKeyLVKAJXXXQHJGAJ-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propan-2-yl-1H-pyridine?
The IUPAC name of 2-methylidene-5-propan-2-yl-1H-pyridine (CID 21050415) is 2-methylidene-5-propan-2-yl-1H-pyridine.
What is the SMILES notation for 2-methylidene-5-propan-2-yl-1H-pyridine?
The canonical SMILES for 2-methylidene-5-propan-2-yl-1H-pyridine is C=C1C=CC(C(C)C)=CN1.
What is the InChIKey of 2-methylidene-5-propan-2-yl-1H-pyridine?
The InChIKey is LVKAJXXXQHJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7(2)9-5-4-8(3)10-6-9/h4-7,10H,3H2,1-2H3.
What are the key properties of 2-methylidene-5-propan-2-yl-1H-pyridine?
2-methylidene-5-propan-2-yl-1H-pyridine has a molecular weight of 135.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-propan-2-yl-1H-pyridine is sourced from PubChem (CID 21050415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).