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

C9H15NO2 — CID 19982656

IUPAC3-pentoxy-1,2-dihydropyrrol-5-one
SMILESCCCCCOC1=CC(=O)NC1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-12-8-6-9(11)10-7-8/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyTVNZONRLFJGLEI-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.21
Rot. Bonds5

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

3-pentoxy-1,2-dihydropyrrol-5-one (PubChem CID 19982656) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-pentoxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-pentoxy-1,2-dihydropyrrol-5-one
PubChem CID19982656
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-pentoxy-1,2-dihydropyrrol-5-one
SMILESCCCCCOC1=CC(=O)NC1
InChIInChI=1S/C9H15NO2/c1-2-3-4-5-12-8-6-9(11)10-7-8/h6H,2-5,7H2,1H3,(H,10,11)
InChIKeyTVNZONRLFJGLEI-UHFFFAOYSA-N
XLogP1.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-pentoxy-1,2-dihydropyrrol-5-one (CID 19982656) is 3-pentoxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-pentoxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-pentoxy-1,2-dihydropyrrol-5-one is CCCCCOC1=CC(=O)NC1.
What is the InChIKey of 3-pentoxy-1,2-dihydropyrrol-5-one?
The InChIKey is TVNZONRLFJGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-4-5-12-8-6-9(11)10-7-8/h6H,2-5,7H2,1H3,(H,10,11).
What are the key properties of 3-pentoxy-1,2-dihydropyrrol-5-one?
3-pentoxy-1,2-dihydropyrrol-5-one has a molecular weight of 169.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentoxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 19982656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).