3-pentoxy-1H-pyridin-2-one

C10H15NO2 — CID 67377382

IUPAC3-pentoxy-1H-pyridin-2-one
SMILESCCCCCOc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-8-13-9-6-5-7-11-10(9)12/h5-7H,2-4,8H2,1H3,(H,11,12)
InChIKeyREMSMGCCPBYYQY-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.94
Rot. Bonds5

About 3-pentoxy-1H-pyridin-2-one

3-pentoxy-1H-pyridin-2-one (PubChem CID 67377382) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-pentoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-pentoxy-1H-pyridin-2-one
PubChem CID67377382
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name3-pentoxy-1H-pyridin-2-one
SMILESCCCCCOc1ccc[nH]c1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-8-13-9-6-5-7-11-10(9)12/h5-7H,2-4,8H2,1H3,(H,11,12)
InChIKeyREMSMGCCPBYYQY-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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Related Compounds

3-dodecoxy-1H-pyridin-2-one
CID 123606468
3-(4-phenoxybutoxy)-1H-pyridin-2-one
CID 82056040
3-methyl-4-pentoxy-1H-pyridin-2-one
CID 66739839
3-[3-(4-methoxyphenoxy)propoxy]-1H-pyridin-2-one
CID 82056039
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
3-(2-methylprop-2-enoxy)-1H-pyridin-2-one
CID 82056046
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
CID 82056047
3-nonyl-1H-pyridin-2-one
CID 91411158
1-heptoxy-2-iodobenzene
CID 63530624
1-ethyl-2-heptoxybenzene
CID 22723794
2-[(2-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82055987
3-[(2-methylphenyl)methoxy]-1H-pyridin-2-one
CID 82056015

Frequently Asked Questions

What is the IUPAC name of 3-pentoxy-1H-pyridin-2-one?
The IUPAC name of 3-pentoxy-1H-pyridin-2-one (CID 67377382) is 3-pentoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-pentoxy-1H-pyridin-2-one?
The canonical SMILES for 3-pentoxy-1H-pyridin-2-one is CCCCCOc1ccc[nH]c1=O.
What is the InChIKey of 3-pentoxy-1H-pyridin-2-one?
The InChIKey is REMSMGCCPBYYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-8-13-9-6-5-7-11-10(9)12/h5-7H,2-4,8H2,1H3,(H,11,12).
What are the key properties of 3-pentoxy-1H-pyridin-2-one?
3-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 3-pentoxy-1H-pyridin-2-one is sourced from PubChem (CID 67377382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).