1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one

C9H16N2O2 — CID 135127488

IUPAC1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one
SMILESNCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C9H16N2O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5,8,12H,1-3,6-7,10H2
InChIKeyJRGIHBORRROTFR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.17
Rot. Bonds5

About 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one

1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one (PubChem CID 135127488) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one
PubChem CID135127488
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one
SMILESNCCCCCN1C(=O)C=CC1O
InChIInChI=1S/C9H16N2O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5,8,12H,1-3,6-7,10H2
InChIKeyJRGIHBORRROTFR-UHFFFAOYSA-N
XLogP-0.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
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 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one (CID 135127488) is 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one is NCCCCCN1C(=O)C=CC1O.
What is the InChIKey of 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is JRGIHBORRROTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-6-2-1-3-7-11-8(12)4-5-9(11)13/h4-5,8,12H,1-3,6-7,10H2.
What are the key properties of 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one?
1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 184.24 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminopentyl)-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 135127488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).