3-but-3-enoxy-1,2-dihydropyrrol-5-one

C8H11NO2 — CID 19982567

IUPAC3-but-3-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCCOC1=CC(=O)NC1
InChIInChI=1S/C8H11NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h2,5H,1,3-4,6H2,(H,9,10)
InChIKeyVITFSTMQTQFZGH-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds4

About 3-but-3-enoxy-1,2-dihydropyrrol-5-one

3-but-3-enoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982567) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-but-3-enoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-but-3-enoxy-1,2-dihydropyrrol-5-one
PubChem CID19982567
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-but-3-enoxy-1,2-dihydropyrrol-5-one
SMILESC=CCCOC1=CC(=O)NC1
InChIInChI=1S/C8H11NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h2,5H,1,3-4,6H2,(H,9,10)
InChIKeyVITFSTMQTQFZGH-UHFFFAOYSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-but-3-enoxy-1,2-dihydropyrrol-5-one (CID 19982567) is 3-but-3-enoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-but-3-enoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-but-3-enoxy-1,2-dihydropyrrol-5-one is C=CCCOC1=CC(=O)NC1.
What is the InChIKey of 3-but-3-enoxy-1,2-dihydropyrrol-5-one?
The InChIKey is VITFSTMQTQFZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h2,5H,1,3-4,6H2,(H,9,10).
What are the key properties of 3-but-3-enoxy-1,2-dihydropyrrol-5-one?
3-but-3-enoxy-1,2-dihydropyrrol-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).