3-nonyl-1H-pyridin-2-one

C14H23NO — CID 91411158

IUPAC3-nonyl-1H-pyridin-2-one
SMILESCCCCCCCCCc1ccc[nH]c1=O
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-15-14(13)16/h9,11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyKQWAZYQVVPLVTI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.67
Rot. Bonds8

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

3-nonyl-1H-pyridin-2-one (PubChem CID 91411158) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-nonyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-nonyl-1H-pyridin-2-one
PubChem CID91411158
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-nonyl-1H-pyridin-2-one
SMILESCCCCCCCCCc1ccc[nH]c1=O
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-15-14(13)16/h9,11-12H,2-8,10H2,1H3,(H,15,16)
InChIKeyKQWAZYQVVPLVTI-UHFFFAOYSA-N
XLogP3.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-octadecyl-1H-pyridin-2-one
CID 151285880
3-heptyl-1H-pyridin-2-one;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 174748475
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
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1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
2-henicosyl-1H-pyrrole
CID 173176320
2-hexacosyl-1H-pyrrole
CID 173177329
1-ethyl-2-henicosylbenzene
CID 141174443
3-dodecoxy-1H-pyridin-2-one
CID 123606468
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of 3-nonyl-1H-pyridin-2-one?
The IUPAC name of 3-nonyl-1H-pyridin-2-one (CID 91411158) is 3-nonyl-1H-pyridin-2-one.
What is the SMILES notation for 3-nonyl-1H-pyridin-2-one?
The canonical SMILES for 3-nonyl-1H-pyridin-2-one is CCCCCCCCCc1ccc[nH]c1=O.
What is the InChIKey of 3-nonyl-1H-pyridin-2-one?
The InChIKey is KQWAZYQVVPLVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-10-13-11-9-12-15-14(13)16/h9,11-12H,2-8,10H2,1H3,(H,15,16).
What are the key properties of 3-nonyl-1H-pyridin-2-one?
3-nonyl-1H-pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonyl-1H-pyridin-2-one is sourced from PubChem (CID 91411158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).