1-ethenoxy-2,3-dihydropyrrole

C6H9NO — CID 67826515

IUPAC1-ethenoxy-2,3-dihydropyrrole
SMILESC=CON1C=CCC1
InChIInChI=1S/C6H9NO/c1-2-8-7-5-3-4-6-7/h2-3,5H,1,4,6H2
InChIKeyWBMOQSZZRYGRSY-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.28
Rot. Bonds2

About 1-ethenoxy-2,3-dihydropyrrole

1-ethenoxy-2,3-dihydropyrrole (PubChem CID 67826515) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-ethenoxy-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-ethenoxy-2,3-dihydropyrrole
PubChem CID67826515
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-ethenoxy-2,3-dihydropyrrole
SMILESC=CON1C=CCC1
InChIInChI=1S/C6H9NO/c1-2-8-7-5-3-4-6-7/h2-3,5H,1,4,6H2
InChIKeyWBMOQSZZRYGRSY-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-ethenoxy-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethoxy-dihydropyrrole
CID 69085960
2-Vinyl-3,4-dihydrooxazine
CID 69792050
Ethoxy-1,4,5,6-tetrahydropyridine
CID 129779094
2-Ethyl-5,6-dihydrooxazine
CID 171037587
2,5-dimethyl-5H-1,2-oxazole
CID 18779438
2-ethyl-5H-1,2-oxazole
CID 20348788
1-ethoxy-4H-pyridine
CID 20549679
2-propyl-5H-1,2-oxazole
CID 54192048
1-Methoxy-1-methyl-2,3-dihydropyrrol-1-ium
CID 57073328
2,4-bis(ethenyl)-3H-1,2-oxazole
CID 66833750
2-But-3-enyloxazine
CID 69220190
1-Methoxy-2,3-dihydropyrrole
CID 69341633

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2,3-dihydropyrrole?
The IUPAC name of 1-ethenoxy-2,3-dihydropyrrole (CID 67826515) is 1-ethenoxy-2,3-dihydropyrrole.
What is the SMILES notation for 1-ethenoxy-2,3-dihydropyrrole?
The canonical SMILES for 1-ethenoxy-2,3-dihydropyrrole is C=CON1C=CCC1.
What is the InChIKey of 1-ethenoxy-2,3-dihydropyrrole?
The InChIKey is WBMOQSZZRYGRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-2-8-7-5-3-4-6-7/h2-3,5H,1,4,6H2.
What are the key properties of 1-ethenoxy-2,3-dihydropyrrole?
1-ethenoxy-2,3-dihydropyrrole has a molecular weight of 111.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2,3-dihydropyrrole is sourced from PubChem (CID 67826515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).