4-propan-2-yl-3-propan-2-ylidene-2H-pyridine

C11H17N — CID 118941640

IUPAC4-propan-2-yl-3-propan-2-ylidene-2H-pyridine
SMILESCC(C)=C1CN=CC=C1C(C)C
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8H,7H2,1-4H3
InChIKeyXAPJVUAZZXSBQQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.99
Rot. Bonds1

About 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine

4-propan-2-yl-3-propan-2-ylidene-2H-pyridine (PubChem CID 118941640) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine.

Molecular Properties

Compound Name4-propan-2-yl-3-propan-2-ylidene-2H-pyridine
PubChem CID118941640
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-propan-2-yl-3-propan-2-ylidene-2H-pyridine
SMILESCC(C)=C1CN=CC=C1C(C)C
InChIInChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8H,7H2,1-4H3
InChIKeyXAPJVUAZZXSBQQ-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine?
The IUPAC name of 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine (CID 118941640) is 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine.
What is the SMILES notation for 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine?
The canonical SMILES for 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine is CC(C)=C1CN=CC=C1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine?
The InChIKey is XAPJVUAZZXSBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)10-5-6-12-7-11(10)9(3)4/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine?
4-propan-2-yl-3-propan-2-ylidene-2H-pyridine has a molecular weight of 163.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-propan-2-ylidene-2H-pyridine is sourced from PubChem (CID 118941640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).