3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine

C10H15N — CID 22959176

IUPAC3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine
SMILESC=C1C=C(C(C)C)C(=C)CN1
InChIInChI=1S/C10H15N/c1-7(2)10-5-9(4)11-6-8(10)3/h5,7,11H,3-4,6H2,1-2H3
InChIKeyYNRMASVGVYGYFJ-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.24
Rot. Bonds1

About 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine

3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine (PubChem CID 22959176) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine.

Molecular Properties

Compound Name3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine
PubChem CID22959176
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine
SMILESC=C1C=C(C(C)C)C(=C)CN1
InChIInChI=1S/C10H15N/c1-7(2)10-5-9(4)11-6-8(10)3/h5,7,11H,3-4,6H2,1-2H3
InChIKeyYNRMASVGVYGYFJ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine?
The IUPAC name of 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine (CID 22959176) is 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine.
What is the SMILES notation for 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine?
The canonical SMILES for 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine is C=C1C=C(C(C)C)C(=C)CN1.
What is the InChIKey of 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine?
The InChIKey is YNRMASVGVYGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-7(2)10-5-9(4)11-6-8(10)3/h5,7,11H,3-4,6H2,1-2H3.
What are the key properties of 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine?
3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine has a molecular weight of 149.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylidene-4-propan-2-yl-1,2-dihydropyridine is sourced from PubChem (CID 22959176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).