3-ethenyl-2,3-dihydro-1H-pyrrole

C6H9N — CID 154585398

IUPAC3-ethenyl-2,3-dihydro-1H-pyrrole
SMILESC=CC1C=CNC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2-4,6-7H,1,5H2
InChIKeyIADHMBRZCPCICM-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.91
Rot. Bonds1

About 3-ethenyl-2,3-dihydro-1H-pyrrole

3-ethenyl-2,3-dihydro-1H-pyrrole (PubChem CID 154585398) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-ethenyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-ethenyl-2,3-dihydro-1H-pyrrole
PubChem CID154585398
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-ethenyl-2,3-dihydro-1H-pyrrole
SMILESC=CC1C=CNC1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2-4,6-7H,1,5H2
InChIKeyIADHMBRZCPCICM-UHFFFAOYSA-N
XLogP0.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pyrroline
CID 94395
1,4-Butanediamine, N-(3-methyl-1-butenyl)-
CID 6435688
(+)-2,3-Dihydro-3-methyl-1H-pyrrole
CID 22419314
2-Fluorodihydropyrrole
CID 129745347
3-(Trifluoromethyl)-2,3-dihydro-1h-pyrrole
CID 155818182
4-Methyl-1,4-dihydropyridine
CID 11240431
4-Methyltetrahydropyridine
CID 21432697
5,5-Dimethylpyrroline
CID 22455999
3-Methyltetrahydropyridine
CID 22630110
Pyrrolinium chloride
CID 67584333
1-Methyl--pyrrolinium chloride
CID 68589039
Dihydropyrrol-2-amine
CID 70339927

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-ethenyl-2,3-dihydro-1H-pyrrole (CID 154585398) is 3-ethenyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-ethenyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-ethenyl-2,3-dihydro-1H-pyrrole is C=CC1C=CNC1.
What is the InChIKey of 3-ethenyl-2,3-dihydro-1H-pyrrole?
The InChIKey is IADHMBRZCPCICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h2-4,6-7H,1,5H2.
What are the key properties of 3-ethenyl-2,3-dihydro-1H-pyrrole?
3-ethenyl-2,3-dihydro-1H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 154585398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).