acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one

C14H23NO4 — CID 160600910

IUPACacetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCC(=O)O.CCCCCCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO2.C2H4O2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10;1-2(3)4/h7-9,11,14H,2-6H2,1H3,(H,13,15);1H3,(H,3,4)
InChIKeyAGOAIMRZFAMPPU-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.47
Rot. Bonds6

About acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one

acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one (PubChem CID 160600910) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameacetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one
PubChem CID160600910
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameacetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one
SMILESCC(=O)O.CCCCCCC(O)c1cc[nH]c(=O)c1
InChIInChI=1S/C12H19NO2.C2H4O2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10;1-2(3)4/h7-9,11,14H,2-6H2,1H3,(H,13,15);1H3,(H,3,4)
InChIKeyAGOAIMRZFAMPPU-UHFFFAOYSA-N
XLogP2.47
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-5-(1-hydroxyhexyl)pyridine
CID 21280493
4-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160600911
5-(1-hydroxyheptyl)-1H-pyridin-2-one
CID 160732859
4-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171871810
4-methyl-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872091

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The IUPAC name of acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one (CID 160600910) is acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one.
What is the SMILES notation for acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The canonical SMILES for acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one is CC(=O)O.CCCCCCC(O)c1cc[nH]c(=O)c1.
What is the InChIKey of acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one?
The InChIKey is AGOAIMRZFAMPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H4O2/c1-2-3-4-5-6-11(14)10-7-8-13-12(15)9-10;1-2(3)4/h7-9,11,14H,2-6H2,1H3,(H,13,15);1H3,(H,3,4).
What are the key properties of acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one?
acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one has a molecular weight of 269.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-(1-hydroxyheptyl)-1H-pyridin-2-one is sourced from PubChem (CID 160600910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).