3-butoxy-1,2-dihydropyrrol-5-one

C8H13NO2 — CID 19982660

IUPAC3-butoxy-1,2-dihydropyrrol-5-one
SMILESCCCCOC1=CC(=O)NC1
InChIInChI=1S/C8H13NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyGRAFECHAVRXUHP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds4

About 3-butoxy-1,2-dihydropyrrol-5-one

3-butoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982660) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-butoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-butoxy-1,2-dihydropyrrol-5-one
PubChem CID19982660
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-butoxy-1,2-dihydropyrrol-5-one
SMILESCCCCOC1=CC(=O)NC1
InChIInChI=1S/C8H13NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyGRAFECHAVRXUHP-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-1,2-dihydropyrrol-5-one 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

4-methoxy-2,5-dihydro-1H-pyrrol-2-one
CID 574769
3,4-dihydro-7-methyl-1,4-oxazepin-5(2H)-one
CID 11970430
4-Ethoxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 13193727
3-But-3-enoxy-1,2-dihydropyrrol-5-one
CID 19982567
1-(2-aminoethyl)-3-ethoxy-2H-pyrrol-5-one
CID 71729798
4-Ethoxy-3-pyrrolin-2-one
CID 15007584
3-(3-Bromopropoxy)-1,2-dihydropyrrol-5-one
CID 19982531
3-[(2-Methylpropan-2-yl)oxy]-1,2-dihydropyrrol-5-one
CID 19982537
3-Dodecoxy-1,2-dihydropyrrol-5-one
CID 19982564
4-Octyloxy-3-pyrrolin-2-one
CID 19982578
4-n-Propoxy-3-pyrrolin-2-one
CID 19982613
3-(2-Methylpropoxy)-1,2-dihydropyrrol-5-one
CID 19982620

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-butoxy-1,2-dihydropyrrol-5-one (CID 19982660) is 3-butoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-butoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-butoxy-1,2-dihydropyrrol-5-one is CCCCOC1=CC(=O)NC1.
What is the InChIKey of 3-butoxy-1,2-dihydropyrrol-5-one?
The InChIKey is GRAFECHAVRXUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-3-4-11-7-5-8(10)9-6-7/h5H,2-4,6H2,1H3,(H,9,10).
What are the key properties of 3-butoxy-1,2-dihydropyrrol-5-one?
3-butoxy-1,2-dihydropyrrol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).