(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline

C14H13N — CID 143672117

IUPAC(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
SMILESC=C/C=c1/ncc2ccccc2/c1=C/C
InChIInChI=1S/C14H13N/c1-3-7-14-12(4-2)13-9-6-5-8-11(13)10-15-14/h3-10H,1H2,2H3/b12-4-,14-7+
InChIKeyJTAKRCWKKKEMTJ-RNGVJAIVSA-N
MW195.26 g/mol
LogP2.00
Rot. Bonds1

About (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline

(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline (PubChem CID 143672117) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline.

Molecular Properties

Compound Name(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
PubChem CID143672117
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Name(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
SMILESC=C/C=c1/ncc2ccccc2/c1=C/C
InChIInChI=1S/C14H13N/c1-3-7-14-12(4-2)13-9-6-5-8-11(13)10-15-14/h3-10H,1H2,2H3/b12-4-,14-7+
InChIKeyJTAKRCWKKKEMTJ-RNGVJAIVSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrimidin-6-one
CID 137304954
naphthalene;prop-1-ene
CID 22255850
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-benzofuran
CID 142403527
1,4-dimethylphenanthridine
CID 122403892
phenanthridine
CID 9189
4-prop-2-enylisoquinolin-3-amine
CID 119086867
(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline
CID 155477207
ethane;(2E,3Z)-2-ethylidene-3-prop-2-enylidenepyridine
CID 142972372
(9E)-9-ethylidene-10-methylidenephenanthrene
CID 142424633
phenanthridine;platinum(2+)
CID 23616726
(2E,3Z)-2-(3,3-dimethylbutylidene)-3-prop-2-enylidenebenzo[g][1]benzothiole
CID 167214744
(2E,3Z)-2,3-di(ethylidene)-4-methylquinoline;ethane
CID 143448239

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline?
The IUPAC name of (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline (CID 143672117) is (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline.
What is the SMILES notation for (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline?
The canonical SMILES for (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline is C=C/C=c1/ncc2ccccc2/c1=C/C.
What is the InChIKey of (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline?
The InChIKey is JTAKRCWKKKEMTJ-RNGVJAIVSA-N. The full InChI is InChI=1S/C14H13N/c1-3-7-14-12(4-2)13-9-6-5-8-11(13)10-15-14/h3-10H,1H2,2H3/b12-4-,14-7+.
What are the key properties of (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline?
(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline has a molecular weight of 195.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline is sourced from PubChem (CID 143672117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).