(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole

C16H19N — CID 170128217

IUPAC(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole
SMILESC=C/C=c1/ccc2c(/c1=C/C)C(C)(C)C(C)=N2
InChIInChI=1S/C16H19N/c1-6-8-12-9-10-14-15(13(12)7-2)16(4,5)11(3)17-14/h6-10H,1H2,2-5H3/b12-8-,13-7+
InChIKeyCZLJHSZYRNWEJR-CZAVNJROSA-N
MW225.33 g/mol
LogP2.84
Rot. Bonds1

About (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole

(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole (PubChem CID 170128217) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole
PubChem CID170128217
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole
SMILESC=C/C=c1/ccc2c(/c1=C/C)C(C)(C)C(C)=N2
InChIInChI=1S/C16H19N/c1-6-8-12-9-10-14-15(13(12)7-2)16(4,5)11(3)17-14/h6-10H,1H2,2-5H3/b12-8-,13-7+
InChIKeyCZLJHSZYRNWEJR-CZAVNJROSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole?
The IUPAC name of (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole (CID 170128217) is (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole.
What is the SMILES notation for (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole?
The canonical SMILES for (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole is C=C/C=c1/ccc2c(/c1=C/C)C(C)(C)C(C)=N2.
What is the InChIKey of (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole?
The InChIKey is CZLJHSZYRNWEJR-CZAVNJROSA-N. The full InChI is InChI=1S/C16H19N/c1-6-8-12-9-10-14-15(13(12)7-2)16(4,5)11(3)17-14/h6-10H,1H2,2-5H3/b12-8-,13-7+.
What are the key properties of (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole?
(4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole has a molecular weight of 225.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-2,3,3-trimethyl-5-prop-2-enylideneindole is sourced from PubChem (CID 170128217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).