1-tert-butyl-6-methylidene-2,3-dihydropyridine

C10H17N — CID 58487524

IUPAC1-tert-butyl-6-methylidene-2,3-dihydropyridine
SMILESC=C1C=CCCN1C(C)(C)C
InChIInChI=1S/C10H17N/c1-9-7-5-6-8-11(9)10(2,3)4/h5,7H,1,6,8H2,2-4H3
InChIKeyIVEZHOIIESNYSE-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.56
Rot. Bonds

About 1-tert-butyl-6-methylidene-2,3-dihydropyridine

1-tert-butyl-6-methylidene-2,3-dihydropyridine (PubChem CID 58487524) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-tert-butyl-6-methylidene-2,3-dihydropyridine.

Molecular Properties

Compound Name1-tert-butyl-6-methylidene-2,3-dihydropyridine
PubChem CID58487524
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-tert-butyl-6-methylidene-2,3-dihydropyridine
SMILESC=C1C=CCCN1C(C)(C)C
InChIInChI=1S/C10H17N/c1-9-7-5-6-8-11(9)10(2,3)4/h5,7H,1,6,8H2,2-4H3
InChIKeyIVEZHOIIESNYSE-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-6-methylidene-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-methylidene-2,3-dihydropyridine?
The IUPAC name of 1-tert-butyl-6-methylidene-2,3-dihydropyridine (CID 58487524) is 1-tert-butyl-6-methylidene-2,3-dihydropyridine.
What is the SMILES notation for 1-tert-butyl-6-methylidene-2,3-dihydropyridine?
The canonical SMILES for 1-tert-butyl-6-methylidene-2,3-dihydropyridine is C=C1C=CCCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-6-methylidene-2,3-dihydropyridine?
The InChIKey is IVEZHOIIESNYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9-7-5-6-8-11(9)10(2,3)4/h5,7H,1,6,8H2,2-4H3.
What are the key properties of 1-tert-butyl-6-methylidene-2,3-dihydropyridine?
1-tert-butyl-6-methylidene-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-methylidene-2,3-dihydropyridine is sourced from PubChem (CID 58487524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).