(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine

C11H13N — CID 89384502

IUPAC(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine
SMILESC=C/C=c1/cccn/c1=C/CC
InChIInChI=1S/C11H13N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3,5-9H,1,4H2,2H3/b10-6-,11-7+
InChIKeyRDPCOPWTHYZPNW-NAKBGQTNSA-N
MW159.23 g/mol
LogP1.24
Rot. Bonds2

About (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine

(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine (PubChem CID 89384502) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine.

Molecular Properties

Compound Name(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine
PubChem CID89384502
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine
SMILESC=C/C=c1/cccn/c1=C/CC
InChIInChI=1S/C11H13N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3,5-9H,1,4H2,2H3/b10-6-,11-7+
InChIKeyRDPCOPWTHYZPNW-NAKBGQTNSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine?
The IUPAC name of (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine (CID 89384502) is (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine.
What is the SMILES notation for (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine?
The canonical SMILES for (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine is C=C/C=c1/cccn/c1=C/CC.
What is the InChIKey of (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine?
The InChIKey is RDPCOPWTHYZPNW-NAKBGQTNSA-N. The full InChI is InChI=1S/C11H13N/c1-3-6-10-8-5-9-12-11(10)7-4-2/h3,5-9H,1,4H2,2H3/b10-6-,11-7+.
What are the key properties of (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine?
(2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine has a molecular weight of 159.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-prop-2-enylidene-2-propylidenepyridine is sourced from PubChem (CID 89384502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).