(2Z)-2-ethylidene-1-methylpyridine

C8H11N — CID 45087094

IUPAC(2Z)-2-ethylidene-1-methylpyridine
SMILESC/C=C1/C=CC=CN1C
InChIInChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1-2H3/b8-3-
InChIKeyWBOLNWUSQRNTEP-BAQGIRSFSA-N
MW121.18 g/mol
LogP1.91
Rot. Bonds

About (2Z)-2-ethylidene-1-methylpyridine

(2Z)-2-ethylidene-1-methylpyridine (PubChem CID 45087094) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is (2Z)-2-ethylidene-1-methylpyridine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-1-methylpyridine
PubChem CID45087094
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name(2Z)-2-ethylidene-1-methylpyridine
SMILESC/C=C1/C=CC=CN1C
InChIInChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1-2H3/b8-3-
InChIKeyWBOLNWUSQRNTEP-BAQGIRSFSA-N
XLogP1.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-1-methylpyridine?
The IUPAC name of (2Z)-2-ethylidene-1-methylpyridine (CID 45087094) is (2Z)-2-ethylidene-1-methylpyridine.
What is the SMILES notation for (2Z)-2-ethylidene-1-methylpyridine?
The canonical SMILES for (2Z)-2-ethylidene-1-methylpyridine is C/C=C1/C=CC=CN1C.
What is the InChIKey of (2Z)-2-ethylidene-1-methylpyridine?
The InChIKey is WBOLNWUSQRNTEP-BAQGIRSFSA-N. The full InChI is InChI=1S/C8H11N/c1-3-8-6-4-5-7-9(8)2/h3-7H,1-2H3/b8-3-.
What are the key properties of (2Z)-2-ethylidene-1-methylpyridine?
(2Z)-2-ethylidene-1-methylpyridine has a molecular weight of 121.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-1-methylpyridine is sourced from PubChem (CID 45087094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).