(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine

C16H21N — CID 123990141

IUPAC(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine
SMILESCCC/C=C1C(=C2/C=CC=CC2)/N=CCC/1C
InChIInChI=1S/C16H21N/c1-3-4-10-15-13(2)11-12-17-16(15)14-8-6-5-7-9-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3/b15-10+,16-14+
InChIKeyXGWOZUJUTRQZNW-YITIUYSNSA-N
MW227.35 g/mol
LogP4.59
Rot. Bonds2

About (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine

(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine (PubChem CID 123990141) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine
PubChem CID123990141
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine
SMILESCCC/C=C1C(=C2/C=CC=CC2)/N=CCC/1C
InChIInChI=1S/C16H21N/c1-3-4-10-15-13(2)11-12-17-16(15)14-8-6-5-7-9-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3/b15-10+,16-14+
InChIKeyXGWOZUJUTRQZNW-YITIUYSNSA-N
XLogP4.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine with MolForge

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Related Compounds

N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115
(4S)-1,4-dimethyl-4,4a-dihydroisoquinoline
CID 68330512
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
(5Z,6E)-6-ethylidene-5-prop-2-enylidene-3,4-dihydropyridine
CID 89200020
5,6-Dimethyl-6,7-dihydroquinoline
CID 89495195
7,8-Dimethyl-6,7-dihydroquinoline
CID 89495225
3-methyl-6-[(4E)-nona-2,4,6-trien-4-yl]-3,4-dihydropyridine
CID 90880500
6-Cyclohexa-1,3-dien-1-yl-3-methyl-3,4-dihydropyridine
CID 91311127
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
Ethane;8-methyl-3,4,4a,5-tetrahydroquinoline
CID 91349973
(2E)-2-[(3Z)-hexa-3,5-dien-2-ylidene]-3,4-dimethyl-3H-pyridine
CID 117904067
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-3,4-dihydropyridine
CID 117906908

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine?
The IUPAC name of (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine (CID 123990141) is (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine.
What is the SMILES notation for (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine?
The canonical SMILES for (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine is CCC/C=C1C(=C2/C=CC=CC2)/N=CCC/1C.
What is the InChIKey of (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine?
The InChIKey is XGWOZUJUTRQZNW-YITIUYSNSA-N. The full InChI is InChI=1S/C16H21N/c1-3-4-10-15-13(2)11-12-17-16(15)14-8-6-5-7-9-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3/b15-10+,16-14+.
What are the key properties of (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine?
(5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine has a molecular weight of 227.35 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-butylidene-6-cyclohexa-2,4-dien-1-ylidene-4-methyl-3,4-dihydropyridine is sourced from PubChem (CID 123990141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).