5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid

C9H13NO3 — CID 123151249

IUPAC5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC=CC1=O
InChIInChI=1S/C9H13NO3/c11-8-4-3-7-10(8)6-2-1-5-9(12)13/h3-4H,1-2,5-7H2,(H,12,13)
InChIKeyRLPGPHBISJWVIL-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.64
Rot. Bonds5

About 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid

5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid (PubChem CID 123151249) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
PubChem CID123151249
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CC=CC1=O
InChIInChI=1S/C9H13NO3/c11-8-4-3-7-10(8)6-2-1-5-9(12)13/h3-4H,1-2,5-7H2,(H,12,13)
InChIKeyRLPGPHBISJWVIL-UHFFFAOYSA-N
XLogP0.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.64
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 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid (CID 123151249) is 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid is O=C(O)CCCCN1CC=CC1=O.
What is the InChIKey of 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
The InChIKey is RLPGPHBISJWVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-8-4-3-7-10(8)6-2-1-5-9(12)13/h3-4H,1-2,5-7H2,(H,12,13).
What are the key properties of 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid?
5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid has a molecular weight of 183.21 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxo-2H-pyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 123151249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).