(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine

C15H21N — CID 89256584

IUPAC(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
SMILESC=C/C=c1/nc(C)c(CCC)c/c1=C/CC
InChIInChI=1S/C15H21N/c1-5-8-13-11-14(9-6-2)15(10-7-3)16-12(13)4/h7,9-11H,3,5-6,8H2,1-2,4H3/b14-9-,15-10+
InChIKeyNWPBAAVMDNSQLG-RRFADNKVSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds4

About (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine

(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine (PubChem CID 89256584) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine.

Molecular Properties

Compound Name(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
PubChem CID89256584
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
SMILESC=C/C=c1/nc(C)c(CCC)c/c1=C/CC
InChIInChI=1S/C15H21N/c1-5-8-13-11-14(9-6-2)15(10-7-3)16-12(13)4/h7,9-11H,3,5-6,8H2,1-2,4H3/b14-9-,15-10+
InChIKeyNWPBAAVMDNSQLG-RRFADNKVSA-N
XLogP2.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine?
The IUPAC name of (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine (CID 89256584) is (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine.
What is the SMILES notation for (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine?
The canonical SMILES for (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine is C=C/C=c1/nc(C)c(CCC)c/c1=C/CC.
What is the InChIKey of (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine?
The InChIKey is NWPBAAVMDNSQLG-RRFADNKVSA-N. The full InChI is InChI=1S/C15H21N/c1-5-8-13-11-14(9-6-2)15(10-7-3)16-12(13)4/h7,9-11H,3,5-6,8H2,1-2,4H3/b14-9-,15-10+.
What are the key properties of (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine?
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine has a molecular weight of 215.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine is sourced from PubChem (CID 89256584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).