4-pentoxy-1H-pyridin-2-one

C10H15NO2 — CID 58896775

IUPAC4-pentoxy-1H-pyridin-2-one
SMILESCCCCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C10H15NO2/c1-2-3-4-7-13-9-5-6-11-10(12)8-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)
InChIKeyNTEUSYGAWDNNGK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.94
Rot. Bonds5

About 4-pentoxy-1H-pyridin-2-one

4-pentoxy-1H-pyridin-2-one (PubChem CID 58896775) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-pentoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-pentoxy-1H-pyridin-2-one
PubChem CID58896775
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-pentoxy-1H-pyridin-2-one
SMILESCCCCCOc1cc[nH]c(=O)c1
InChIInChI=1S/C10H15NO2/c1-2-3-4-7-13-9-5-6-11-10(12)8-9/h5-6,8H,2-4,7H2,1H3,(H,11,12)
InChIKeyNTEUSYGAWDNNGK-UHFFFAOYSA-N
XLogP1.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.94
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 4-pentoxy-1H-pyridin-2-one?
The IUPAC name of 4-pentoxy-1H-pyridin-2-one (CID 58896775) is 4-pentoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-pentoxy-1H-pyridin-2-one?
The canonical SMILES for 4-pentoxy-1H-pyridin-2-one is CCCCCOc1cc[nH]c(=O)c1.
What is the InChIKey of 4-pentoxy-1H-pyridin-2-one?
The InChIKey is NTEUSYGAWDNNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-7-13-9-5-6-11-10(12)8-9/h5-6,8H,2-4,7H2,1H3,(H,11,12).
What are the key properties of 4-pentoxy-1H-pyridin-2-one?
4-pentoxy-1H-pyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-1H-pyridin-2-one is sourced from PubChem (CID 58896775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).