(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine

C13H19N — CID 89364024

IUPAC(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine
SMILESC/C=C1\C=CC(C)=CN1/C=C(/C)CC
InChIInChI=1S/C13H19N/c1-5-11(3)9-14-10-12(4)7-8-13(14)6-2/h6-10H,5H2,1-4H3/b11-9-,13-6+
InChIKeySINUGZLQDITAKV-IWEOQNIOSA-N
MW189.30 g/mol
LogP3.98
Rot. Bonds2

About (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine

(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine (PubChem CID 89364024) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine.

Molecular Properties

Compound Name(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine
PubChem CID89364024
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine
SMILESC/C=C1\C=CC(C)=CN1/C=C(/C)CC
InChIInChI=1S/C13H19N/c1-5-11(3)9-14-10-12(4)7-8-13(14)6-2/h6-10H,5H2,1-4H3/b11-9-,13-6+
InChIKeySINUGZLQDITAKV-IWEOQNIOSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine?
The IUPAC name of (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine (CID 89364024) is (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine.
What is the SMILES notation for (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine?
The canonical SMILES for (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine is C/C=C1\C=CC(C)=CN1/C=C(/C)CC.
What is the InChIKey of (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine?
The InChIKey is SINUGZLQDITAKV-IWEOQNIOSA-N. The full InChI is InChI=1S/C13H19N/c1-5-11(3)9-14-10-12(4)7-8-13(14)6-2/h6-10H,5H2,1-4H3/b11-9-,13-6+.
What are the key properties of (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine?
(2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine has a molecular weight of 189.30 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-5-methyl-1-[(Z)-2-methylbut-1-enyl]pyridine is sourced from PubChem (CID 89364024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).