3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one

C11H19NO2 — CID 19982539

IUPAC3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one
SMILESCC(C)CCCCOC1=CC(=O)NC1
InChIInChI=1S/C11H19NO2/c1-9(2)5-3-4-6-14-10-7-11(13)12-8-10/h7,9H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyPIGKQZULXARUMG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.84
Rot. Bonds6

About 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one

3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one (PubChem CID 19982539) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one
PubChem CID19982539
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one
SMILESCC(C)CCCCOC1=CC(=O)NC1
InChIInChI=1S/C11H19NO2/c1-9(2)5-3-4-6-14-10-7-11(13)12-8-10/h7,9H,3-6,8H2,1-2H3,(H,12,13)
InChIKeyPIGKQZULXARUMG-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-methylhexoxy)-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

3-Dodecoxy-1,2-dihydropyrrol-5-one
CID 19982564
4-Octyloxy-3-pyrrolin-2-one
CID 19982578
3-(2-Methylpropoxy)-1,2-dihydropyrrol-5-one
CID 19982620
3-Pentoxy-1,2-dihydropyrrol-5-one
CID 19982656
3-Hexoxy-1,2-dihydropyrrol-5-one
CID 19982667
3-(2-Butyloctoxy)-1,2-dihydropyrrol-5-one
CID 140067069

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one (CID 19982539) is 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one is CC(C)CCCCOC1=CC(=O)NC1.
What is the InChIKey of 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one?
The InChIKey is PIGKQZULXARUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)5-3-4-6-14-10-7-11(13)12-8-10/h7,9H,3-6,8H2,1-2H3,(H,12,13).
What are the key properties of 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one?
3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexoxy)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).