1-nonan-3-yl-2H-pyrrol-5-one

C13H23NO — CID 22335680

IUPAC1-nonan-3-yl-2H-pyrrol-5-one
SMILESCCCCCCC(CC)N1CC=CC1=O
InChIInChI=1S/C13H23NO/c1-3-5-6-7-9-12(4-2)14-11-8-10-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyLKJSJQCSLJVPMC-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.13
Rot. Bonds7

About 1-nonan-3-yl-2H-pyrrol-5-one

1-nonan-3-yl-2H-pyrrol-5-one (PubChem CID 22335680) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-nonan-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-nonan-3-yl-2H-pyrrol-5-one
PubChem CID22335680
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-nonan-3-yl-2H-pyrrol-5-one
SMILESCCCCCCC(CC)N1CC=CC1=O
InChIInChI=1S/C13H23NO/c1-3-5-6-7-9-12(4-2)14-11-8-10-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3
InChIKeyLKJSJQCSLJVPMC-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-nonan-3-yl-2H-pyrrol-5-one?
The IUPAC name of 1-nonan-3-yl-2H-pyrrol-5-one (CID 22335680) is 1-nonan-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-nonan-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-nonan-3-yl-2H-pyrrol-5-one is CCCCCCC(CC)N1CC=CC1=O.
What is the InChIKey of 1-nonan-3-yl-2H-pyrrol-5-one?
The InChIKey is LKJSJQCSLJVPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-7-9-12(4-2)14-11-8-10-13(14)15/h8,10,12H,3-7,9,11H2,1-2H3.
What are the key properties of 1-nonan-3-yl-2H-pyrrol-5-one?
1-nonan-3-yl-2H-pyrrol-5-one has a molecular weight of 209.33 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 22335680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).