(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole

C12H17N — CID 88538217

IUPAC(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
SMILESC/C=C(C)\C=c1\[nH]cc(C)\c1=C\C
InChIInChI=1S/C12H17N/c1-5-9(3)7-12-11(6-2)10(4)8-13-12/h5-8,13H,1-4H3/b9-5-,11-6-,12-7+
InChIKeyMFVRNSABHNPOMI-UVHDNLSCSA-N
MW175.27 g/mol
LogP1.87
Rot. Bonds1

About (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole

(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole (PubChem CID 88538217) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
PubChem CID88538217
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole
SMILESC/C=C(C)\C=c1\[nH]cc(C)\c1=C\C
InChIInChI=1S/C12H17N/c1-5-9(3)7-12-11(6-2)10(4)8-13-12/h5-8,13H,1-4H3/b9-5-,11-6-,12-7+
InChIKeyMFVRNSABHNPOMI-UVHDNLSCSA-N
XLogP1.87
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57086633
1H-cycloocta[b]pyrrole
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CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
1-[5-(2-fluorobut-2-enylidene)-4-methylidene-1H-pyrrol-3-yl]-N,N-dimethylmethanamine
CID 123887050
N-[(Z)-5-fluorohex-3-enyl]-4-methylcyclopenta-1,3-dien-1-amine
CID 134466184
5-fluoro-2-methylidene-3-propan-2-yl-1H-pyridine
CID 138525147
(2Z,3Z)-3-but-3-en-2-ylidene-2-(1-fluoroethylidene)-1H-pyrrole
CID 144346676
(2Z)-2-(1-fluoro-2-methylprop-2-enylidene)-3-methylidene-1H-pyrrole
CID 145117775
3-Fluoro-6-methyl-1,7-dihydrocyclohepta[b]pyrrole
CID 145311612
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CID 145640922

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole?
The IUPAC name of (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole (CID 88538217) is (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole?
The canonical SMILES for (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole is C/C=C(C)\C=c1\[nH]cc(C)\c1=C\C.
What is the InChIKey of (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole?
The InChIKey is MFVRNSABHNPOMI-UVHDNLSCSA-N. The full InChI is InChI=1S/C12H17N/c1-5-9(3)7-12-11(6-2)10(4)8-13-12/h5-8,13H,1-4H3/b9-5-,11-6-,12-7+.
What are the key properties of (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole?
(2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole has a molecular weight of 175.27 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-4-methyl-2-[(Z)-2-methylbut-2-enylidene]-1H-pyrrole is sourced from PubChem (CID 88538217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).