(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole

C19H26N2 — CID 58652212

IUPAC(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/C=C/C2=NC(C)=C(CC)C2C)N=C1C
InChIInChI=1S/C19H26N2/c1-7-16-12(3)18(20-14(16)5)10-9-11-19-13(4)17(8-2)15(6)21-19/h9-12H,7-8H2,1-6H3/b10-9+,19-11-
InChIKeyWQDRTPQDFQEEEF-ICXPFMDKSA-N
MW282.43 g/mol
LogP5.40
Rot. Bonds4

About (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole

(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole (PubChem CID 58652212) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole
PubChem CID58652212
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C/C=C/C2=NC(C)=C(CC)C2C)N=C1C
InChIInChI=1S/C19H26N2/c1-7-16-12(3)18(20-14(16)5)10-9-11-19-13(4)17(8-2)15(6)21-19/h9-12H,7-8H2,1-6H3/b10-9+,19-11-
InChIKeyWQDRTPQDFQEEEF-ICXPFMDKSA-N
XLogP5.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bis(azafulvenyl)dimethylmethane
CID 129845376
2-Propan-2-ylcyclopenta[b]pyrrole
CID 17855613
2-Butylcyclopenta[b]pyrrole
CID 17855694
4-ethyl-2-[(E,3Z)-3-(4-ethyl-3,5-dimethylpyrrol-1-ium-2-ylidene)prop-1-enyl]-3,5-dimethyl-3H-pyrrole
CID 58652211
2-Propan-2-yl-3,6-dihydrocyclopenta[b]pyrrole
CID 68078507
2,3,5,7-Tetramethylporphyrin
CID 68718997
3-cyclopentyl-2-methyl-6H-indole
CID 69721720
2,5-Di(propan-2-yl)cyclopenta[b]pyrrole
CID 69966519
2-(4-Prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
CID 70231593
2,3,5,7,8,10,12,13-Octamethylporphyrin
CID 70296448
5-Methylidene-2,3-di(propan-2-yl)pyrrole
CID 89449382
4,10-dimethyl-11-methylidene-3-[(E)-prop-1-enyl]-2-azabicyclo[6.4.0]dodeca-1(12),2,6,7,9-pentaene
CID 90688123

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole?
The IUPAC name of (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole (CID 58652212) is (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole.
What is the SMILES notation for (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole?
The canonical SMILES for (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole is CCC1=C(C)/C(=C/C=C/C2=NC(C)=C(CC)C2C)N=C1C.
What is the InChIKey of (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole?
The InChIKey is WQDRTPQDFQEEEF-ICXPFMDKSA-N. The full InChI is InChI=1S/C19H26N2/c1-7-16-12(3)18(20-14(16)5)10-9-11-19-13(4)17(8-2)15(6)21-19/h9-12H,7-8H2,1-6H3/b10-9+,19-11-.
What are the key properties of (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole?
(2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole has a molecular weight of 282.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-2-[(E)-3-(4-ethyl-3,5-dimethyl-3H-pyrrol-2-yl)prop-2-enylidene]-3,5-dimethylpyrrole is sourced from PubChem (CID 58652212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).