(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine

C17H23N — CID 146245988

IUPAC(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine
SMILESC=C/C=C1/NC(/C=C\C)=C(C=C)C(C)(C)/C1=C/C
InChIInChI=1S/C17H23N/c1-7-11-15-13(9-3)17(5,6)14(10-4)16(18-15)12-8-2/h7-12,18H,1,4H2,2-3,5-6H3/b12-8-,13-9+,15-11+
InChIKeyDIYBOUDIJHXVSI-OSATUSEXSA-N
MW241.38 g/mol
LogP4.65
Rot. Bonds3

About (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine

(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine (PubChem CID 146245988) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine.

Molecular Properties

Compound Name(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine
PubChem CID146245988
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine
SMILESC=C/C=C1/NC(/C=C\C)=C(C=C)C(C)(C)/C1=C/C
InChIInChI=1S/C17H23N/c1-7-11-15-13(9-3)17(5,6)14(10-4)16(18-15)12-8-2/h7-12,18H,1,4H2,2-3,5-6H3/b12-8-,13-9+,15-11+
InChIKeyDIYBOUDIJHXVSI-OSATUSEXSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5E,6E)-2-ethenyl-5-ethylidene-3-[(Z)-prop-1-enyl]-6-prop-2-enylidene-4H-1,4-thiazine
CID 143411150
ethene;(2Z,5Z)-2-ethylidene-1,1-dimethyl-3,4-dimethylidene-5-prop-2-enylidenecyclopentane
CID 144919613
(4Z,5Z)-1-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-5-ethylidene-3,3-dimethyl-2-[(E)-prop-1-enyl]-4-prop-2-enylidenecyclopentene
CID 178165615
(4Z)-4-[(Z)-but-2-enylidene]-2-ethenyl-1,3,3-trimethyl-5-methylidenecyclopentene;prop-1-ene
CID 145141144
(2E,3Z,4Z,5E)-2,5-di(ethylidene)-3,4-bis(prop-2-enylidene)pyrrolidine
CID 144844231
1-ethenyl-3,3,4,4,5,5-hexafluoro-2-[(Z)-prop-1-enyl]cyclopentene
CID 142500496
ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
CID 142500255
(4Z,5E)-2-ethenyl-5-ethylidene-1-methyl-3-[(Z)-prop-1-enyl]-4-prop-2-enylidenepyrrole
CID 174307966
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
(9E,10Z)-2,3,6,7-tetrakis(ethenyl)-9-ethylidene-8-phenyl-10-prop-2-enylidene-8-azaspiro[4.5]deca-2,6-diene
CID 143027605
(5Z,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyridine
CID 155731574
ethane;(5E,6E)-2,4,4-trimethyl-5-prop-2-enylidene-6-propylidene-1H-pyrimidine
CID 145019343

Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine?
The IUPAC name of (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine (CID 146245988) is (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine.
What is the SMILES notation for (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine?
The canonical SMILES for (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine is C=C/C=C1/NC(/C=C\C)=C(C=C)C(C)(C)/C1=C/C.
What is the InChIKey of (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine?
The InChIKey is DIYBOUDIJHXVSI-OSATUSEXSA-N. The full InChI is InChI=1S/C17H23N/c1-7-11-15-13(9-3)17(5,6)14(10-4)16(18-15)12-8-2/h7-12,18H,1,4H2,2-3,5-6H3/b12-8-,13-9+,15-11+.
What are the key properties of (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine?
(5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine has a molecular weight of 241.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-3-ethenyl-5-ethylidene-4,4-dimethyl-2-[(Z)-prop-1-enyl]-6-prop-2-enylidene-1H-pyridine is sourced from PubChem (CID 146245988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).