3-ethylidene-2-(3-methylbutylidene)pyridine

C12H17N — CID 123879305

IUPAC3-ethylidene-2-(3-methylbutylidene)pyridine
SMILESCC=c1cccnc1=CCC(C)C
InChIInChI=1S/C12H17N/c1-4-11-6-5-9-13-12(11)8-7-10(2)3/h4-6,8-10H,7H2,1-3H3
InChIKeyQZGVAATVAOOVNW-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.71
Rot. Bonds2

About 3-ethylidene-2-(3-methylbutylidene)pyridine

3-ethylidene-2-(3-methylbutylidene)pyridine (PubChem CID 123879305) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-ethylidene-2-(3-methylbutylidene)pyridine.

Molecular Properties

Compound Name3-ethylidene-2-(3-methylbutylidene)pyridine
PubChem CID123879305
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-ethylidene-2-(3-methylbutylidene)pyridine
SMILESCC=c1cccnc1=CCC(C)C
InChIInChI=1S/C12H17N/c1-4-11-6-5-9-13-12(11)8-7-10(2)3/h4-6,8-10H,7H2,1-3H3
InChIKeyQZGVAATVAOOVNW-UHFFFAOYSA-N
XLogP1.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(3E,5Z)-3-ethenyl-N-[(Z)-1-fluoro-5-methylhept-3-en-3-yl]-6-methyl-2-methylideneocta-3,5-dien-1-imine
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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-2-(3-methylbutylidene)pyridine?
The IUPAC name of 3-ethylidene-2-(3-methylbutylidene)pyridine (CID 123879305) is 3-ethylidene-2-(3-methylbutylidene)pyridine.
What is the SMILES notation for 3-ethylidene-2-(3-methylbutylidene)pyridine?
The canonical SMILES for 3-ethylidene-2-(3-methylbutylidene)pyridine is CC=c1cccnc1=CCC(C)C.
What is the InChIKey of 3-ethylidene-2-(3-methylbutylidene)pyridine?
The InChIKey is QZGVAATVAOOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11-6-5-9-13-12(11)8-7-10(2)3/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 3-ethylidene-2-(3-methylbutylidene)pyridine?
3-ethylidene-2-(3-methylbutylidene)pyridine has a molecular weight of 175.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-2-(3-methylbutylidene)pyridine is sourced from PubChem (CID 123879305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).