5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole

C8H13N — CID 15937499

IUPAC5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCC/C=C/C1=NCCC1
InChIInChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h3,5H,2,4,6-7H2,1H3/b5-3+
InChIKeyXOFGPSGUVUQYAJ-HWKANZROSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds2

About 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole

5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole (PubChem CID 15937499) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole
PubChem CID15937499
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole
SMILESCC/C=C/C1=NCCC1
InChIInChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h3,5H,2,4,6-7H2,1H3/b5-3+
InChIKeyXOFGPSGUVUQYAJ-HWKANZROSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole (CID 15937499) is 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole is CC/C=C/C1=NCCC1.
What is the InChIKey of 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is XOFGPSGUVUQYAJ-HWKANZROSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h3,5H,2,4,6-7H2,1H3/b5-3+.
What are the key properties of 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole?
5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-1-enyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15937499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).