5-ethenyl-4-ethylidene-2,3-dihydropyrrole

C8H11N — CID 90829219

IUPAC5-ethenyl-4-ethylidene-2,3-dihydropyrrole
SMILESC=CC1=NCCC1=CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-4H,2,5-6H2,1H3
InChIKeyDGSGSJLNJGCBLM-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About 5-ethenyl-4-ethylidene-2,3-dihydropyrrole

5-ethenyl-4-ethylidene-2,3-dihydropyrrole (PubChem CID 90829219) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5-ethenyl-4-ethylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethenyl-4-ethylidene-2,3-dihydropyrrole
PubChem CID90829219
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5-ethenyl-4-ethylidene-2,3-dihydropyrrole
SMILESC=CC1=NCCC1=CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-4H,2,5-6H2,1H3
InChIKeyDGSGSJLNJGCBLM-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Lanopylin B2
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6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
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5-Methyl-4-nonadec-12-enylidene-2,3-dihydropyrrole
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6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
5-Ethyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 13272518
5-Methyl-4-(propan-2-ylidene)-3,4-dihydro-2H-pyrrole
CID 15581274
2,3,5,6-Tetrahydrocyclohepta[b]pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-ethylidene-2,3-dihydropyrrole?
The IUPAC name of 5-ethenyl-4-ethylidene-2,3-dihydropyrrole (CID 90829219) is 5-ethenyl-4-ethylidene-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethenyl-4-ethylidene-2,3-dihydropyrrole?
The canonical SMILES for 5-ethenyl-4-ethylidene-2,3-dihydropyrrole is C=CC1=NCCC1=CC.
What is the InChIKey of 5-ethenyl-4-ethylidene-2,3-dihydropyrrole?
The InChIKey is DGSGSJLNJGCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-ethenyl-4-ethylidene-2,3-dihydropyrrole?
5-ethenyl-4-ethylidene-2,3-dihydropyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-ethylidene-2,3-dihydropyrrole is sourced from PubChem (CID 90829219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).