(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole

C10H13N — CID 88569995

IUPAC(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole
SMILESC/C=C\C=c1\cc[nH]\c1=C\C
InChIInChI=1S/C10H13N/c1-3-5-6-9-7-8-11-10(9)4-2/h3-8,11H,1-2H3/b5-3-,9-6-,10-4+
InChIKeyHVULMHPWIZZEHW-OHKKHBKVSA-N
MW147.22 g/mol
LogP1.17
Rot. Bonds1

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

(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole (PubChem CID 88569995) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole
PubChem CID88569995
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole
SMILESC/C=C\C=c1\cc[nH]\c1=C\C
InChIInChI=1S/C10H13N/c1-3-5-6-9-7-8-11-10(9)4-2/h3-8,11H,1-2H3/b5-3-,9-6-,10-4+
InChIKeyHVULMHPWIZZEHW-OHKKHBKVSA-N
XLogP1.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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1H-cycloocta[b]pyrrole
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Dihydro 5h cyclopenta[c]pyridine
CID 68168321
Cyclopentaquinoline
CID 87329973
Cycloheptaquinoline
CID 87491065
1,2-Dihydro-1-azaazulene
CID 129741193
Lithium 1,7-dihydroindol-7-ide
CID 134894157
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole?
The IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole (CID 88569995) is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole?
The canonical SMILES for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole is C/C=C\C=c1\cc[nH]\c1=C\C.
What is the InChIKey of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole?
The InChIKey is HVULMHPWIZZEHW-OHKKHBKVSA-N. The full InChI is InChI=1S/C10H13N/c1-3-5-6-9-7-8-11-10(9)4-2/h3-8,11H,1-2H3/b5-3-,9-6-,10-4+.
What are the key properties of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole?
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole has a molecular weight of 147.22 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-1H-pyrrole is sourced from PubChem (CID 88569995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).