(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine

C14H19N — CID 71206431

IUPAC(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
SMILESC/C=c1/nccc/c1=C/C1C(C)CC1C
InChIInChI=1S/C14H19N/c1-4-14-12(6-5-7-15-14)9-13-10(2)8-11(13)3/h4-7,9-11,13H,8H2,1-3H3/b12-9-,14-4+
InChIKeyIRZREASLRQOGSW-ZYDBDBNMSA-N
MW201.31 g/mol
LogP1.95
Rot. Bonds1

About (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine

(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine (PubChem CID 71206431) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine.

Molecular Properties

Compound Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
PubChem CID71206431
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine
SMILESC/C=c1/nccc/c1=C/C1C(C)CC1C
InChIInChI=1S/C14H19N/c1-4-14-12(6-5-7-15-14)9-13-10(2)8-11(13)3/h4-7,9-11,13H,8H2,1-3H3/b12-9-,14-4+
InChIKeyIRZREASLRQOGSW-ZYDBDBNMSA-N
XLogP1.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine?
The IUPAC name of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine (CID 71206431) is (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine.
What is the SMILES notation for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine?
The canonical SMILES for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine is C/C=c1/nccc/c1=C/C1C(C)CC1C.
What is the InChIKey of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine?
The InChIKey is IRZREASLRQOGSW-ZYDBDBNMSA-N. The full InChI is InChI=1S/C14H19N/c1-4-14-12(6-5-7-15-14)9-13-10(2)8-11(13)3/h4-7,9-11,13H,8H2,1-3H3/b12-9-,14-4+.
What are the key properties of (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine?
(2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine has a molecular weight of 201.31 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(2,4-dimethylcyclobutyl)methylidene]-2-ethylidenepyridine is sourced from PubChem (CID 71206431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).