3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one

C14H23NO3 — CID 82150733

IUPAC3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
SMILESCCCCCCCOc1cccn(CCO)c1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-12-18-13-8-7-9-15(10-11-16)14(13)17/h7-9,16H,2-6,10-12H2,1H3
InChIKeyJVTJRKAYEWDSNL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.19
Rot. Bonds9

About 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one

3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 82150733) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID82150733
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
SMILESCCCCCCCOc1cccn(CCO)c1=O
InChIInChI=1S/C14H23NO3/c1-2-3-4-5-6-12-18-13-8-7-9-15(10-11-16)14(13)17/h7-9,16H,2-6,10-12H2,1H3
InChIKeyJVTJRKAYEWDSNL-UHFFFAOYSA-N
XLogP2.19
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
2-[3-(3-hydroxypropoxy)-2-oxo-1-pyridinyl]acetic acid
CID 82056097
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
2-(3-hexoxy-2-oxo-1-pyridinyl)-3-methylbutanoic acid
CID 82151667
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905

Frequently Asked Questions

What is the IUPAC name of 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one (CID 82150733) is 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one is CCCCCCCOc1cccn(CCO)c1=O.
What is the InChIKey of 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is JVTJRKAYEWDSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-3-4-5-6-12-18-13-8-7-9-15(10-11-16)14(13)17/h7-9,16H,2-6,10-12H2,1H3.
What are the key properties of 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one?
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 82150733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).