(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole

C19H25N — CID 145180674

IUPAC(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole
SMILESC=C/C=C(C)\C=C(/C)c1cn(CC)c(=C/C=C)/c1=C\C
InChIInChI=1S/C19H25N/c1-7-11-15(5)13-16(6)18-14-20(10-4)19(12-8-2)17(18)9-3/h7-9,11-14H,1-2,10H2,3-6H3/b15-11-,16-13+,17-9-,19-12+
InChIKeyRDAFDJNARCRFKG-UXHHOGIQSA-N
MW267.42 g/mol
LogP3.81
Rot. Bonds5

About (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole

(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole (PubChem CID 145180674) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole
PubChem CID145180674
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole
SMILESC=C/C=C(C)\C=C(/C)c1cn(CC)c(=C/C=C)/c1=C\C
InChIInChI=1S/C19H25N/c1-7-11-15(5)13-16(6)18-14-20(10-4)19(12-8-2)17(18)9-3/h7-9,11-14H,1-2,10H2,3-6H3/b15-11-,16-13+,17-9-,19-12+
InChIKeyRDAFDJNARCRFKG-UXHHOGIQSA-N
XLogP3.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole?
The IUPAC name of (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole (CID 145180674) is (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole.
What is the SMILES notation for (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole?
The canonical SMILES for (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole is C=C/C=C(C)\C=C(/C)c1cn(CC)c(=C/C=C)/c1=C\C.
What is the InChIKey of (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole?
The InChIKey is RDAFDJNARCRFKG-UXHHOGIQSA-N. The full InChI is InChI=1S/C19H25N/c1-7-11-15(5)13-16(6)18-14-20(10-4)19(12-8-2)17(18)9-3/h7-9,11-14H,1-2,10H2,3-6H3/b15-11-,16-13+,17-9-,19-12+.
What are the key properties of (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole?
(2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole has a molecular weight of 267.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-1-ethyl-3-ethylidene-4-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-2-prop-2-enylidenepyrrole is sourced from PubChem (CID 145180674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).