5-but-3-enyl-3,4-dihydro-2H-pyrrole

C8H13N — CID 11571799

IUPAC5-but-3-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCC1=NCCC1
InChIInChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h2H,1,3-7H2
InChIKeyUSGRJLNJWYUDSJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds3

About 5-but-3-enyl-3,4-dihydro-2H-pyrrole

5-but-3-enyl-3,4-dihydro-2H-pyrrole (PubChem CID 11571799) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-but-3-enyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-but-3-enyl-3,4-dihydro-2H-pyrrole
PubChem CID11571799
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-but-3-enyl-3,4-dihydro-2H-pyrrole
SMILESC=CCCC1=NCCC1
InChIInChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h2H,1,3-7H2
InChIKeyUSGRJLNJWYUDSJ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Related Compounds

5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole
CID 14106263
2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole
CID 557705
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-2-(8-nonenyl)-
CID 158017
2-(2'-Propenyl)-delta-1-piperideine
CID 157009993
5-ethenyl-3,4-dihydro-2H-pyrrole
CID 21982891
7-prop-2-enyl-3,4,5,6-tetrahydro-2H-azepine
CID 70256777
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine
CID 129798131
(2S)-2-ethenyl-6-methyl-2,3,4,5-tetrahydropyridine
CID 134862195
7-ethenyl-3,4,5,6-tetrahydro-2H-azepine
CID 134988764
2H-Pyrrole, 5-(5-hexenyl)-3,4-dihydro-
CID 10012094
2H-Pyrrole, 3,4-dihydro-5-(4-pentenyl)-
CID 15105256
2H-Pyrrole, 5-(6-heptenyl)-3,4-dihydro-
CID 15105257

Frequently Asked Questions

What is the IUPAC name of 5-but-3-enyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-but-3-enyl-3,4-dihydro-2H-pyrrole (CID 11571799) is 5-but-3-enyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-but-3-enyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-but-3-enyl-3,4-dihydro-2H-pyrrole is C=CCCC1=NCCC1.
What is the InChIKey of 5-but-3-enyl-3,4-dihydro-2H-pyrrole?
The InChIKey is USGRJLNJWYUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-3-5-8-6-4-7-9-8/h2H,1,3-7H2.
What are the key properties of 5-but-3-enyl-3,4-dihydro-2H-pyrrole?
5-but-3-enyl-3,4-dihydro-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-enyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11571799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).