(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole

C17H25N — CID 89044990

IUPAC(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]cc/c1=C/C=C(\C)C(CC)CCC
InChIInChI=1S/C17H25N/c1-5-8-15(7-3)14(4)10-11-16-12-13-18-17(16)9-6-2/h6,9-13,15,18H,2,5,7-8H2,1,3-4H3/b14-10+,16-11-,17-9+
InChIKeyULQXQBJIAREMQX-OIOMVTKZSA-N
MW243.39 g/mol
LogP3.53
Rot. Bonds6

About (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole

(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole (PubChem CID 89044990) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole
PubChem CID89044990
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]cc/c1=C/C=C(\C)C(CC)CCC
InChIInChI=1S/C17H25N/c1-5-8-15(7-3)14(4)10-11-16-12-13-18-17(16)9-6-2/h6,9-13,15,18H,2,5,7-8H2,1,3-4H3/b14-10+,16-11-,17-9+
InChIKeyULQXQBJIAREMQX-OIOMVTKZSA-N
XLogP3.53
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole (CID 89044990) is (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole is C=C/C=c1/[nH]cc/c1=C/C=C(\C)C(CC)CCC.
What is the InChIKey of (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole?
The InChIKey is ULQXQBJIAREMQX-OIOMVTKZSA-N. The full InChI is InChI=1S/C17H25N/c1-5-8-15(7-3)14(4)10-11-16-12-13-18-17(16)9-6-2/h6,9-13,15,18H,2,5,7-8H2,1,3-4H3/b14-10+,16-11-,17-9+.
What are the key properties of (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole?
(2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole has a molecular weight of 243.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(E)-4-ethyl-3-methylhept-2-enylidene]-2-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 89044990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).