2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one

C11H17NO3 — CID 143795451

IUPAC2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one
SMILESCC(=O)CCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H17NO3/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15/h6-7,10,14H,2-5,8H2,1H3
InChIKeyFJUGHCDUHXHDLH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.85
Rot. Bonds6

About 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one

2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one (PubChem CID 143795451) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one
PubChem CID143795451
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one
SMILESCC(=O)CCCCCN1C(=O)C=CC1O
InChIInChI=1S/C11H17NO3/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15/h6-7,10,14H,2-5,8H2,1H3
InChIKeyFJUGHCDUHXHDLH-UHFFFAOYSA-N
XLogP0.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one (CID 143795451) is 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one is CC(=O)CCCCCN1C(=O)C=CC1O.
What is the InChIKey of 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one?
The InChIKey is FJUGHCDUHXHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(13)5-3-2-4-8-12-10(14)6-7-11(12)15/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one?
2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one has a molecular weight of 211.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(6-oxoheptyl)-2H-pyrrol-5-one is sourced from PubChem (CID 143795451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).