1-methyl-4-nonylazetidin-2-one

C13H25NO — CID 70542920

IUPAC1-methyl-4-nonylazetidin-2-one
SMILESCCCCCCCCCC1CC(=O)N1C
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-12-11-13(15)14(12)2/h12H,3-11H2,1-2H3
InChIKeyKZVMZGXXKOYZDR-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.36
Rot. Bonds8

About 1-methyl-4-nonylazetidin-2-one

1-methyl-4-nonylazetidin-2-one (PubChem CID 70542920) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-methyl-4-nonylazetidin-2-one.

Molecular Properties

Compound Name1-methyl-4-nonylazetidin-2-one
PubChem CID70542920
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-methyl-4-nonylazetidin-2-one
SMILESCCCCCCCCCC1CC(=O)N1C
InChIInChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-12-11-13(15)14(12)2/h12H,3-11H2,1-2H3
InChIKeyKZVMZGXXKOYZDR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-5-pentylpyrrolidin-2-one
CID 138496527
4-dodecyl-1-methylpyrrolidin-2-one
CID 175232910
3-methyl-4-pentyl-1,3-thiazolidin-2-one
CID 59738209
2-pentadecylcyclopropan-1-one
CID 70874004
2-decylaziridine-1-carboxamide
CID 175486597
(2R,3S)-1-dodecyl-5-oxo-2-undecylpyrrolidine-3-carboxylic acid
CID 171432322
3,4-didecyl-1,3-oxazolidin-2-one
CID 69088250
4-undecylcyclopentane-1,2-dione
CID 54303237
(2S)-1-methyl-2-undecyl-2,3-dihydroindole-6-carboxylic acid
CID 70511754
4-dodecyloxetan-2-one
CID 90110174
4-nonylpyrrolidin-2-one
CID 143116205
4-hexylpyrrolidin-2-one
CID 18921442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nonylazetidin-2-one?
The IUPAC name of 1-methyl-4-nonylazetidin-2-one (CID 70542920) is 1-methyl-4-nonylazetidin-2-one.
What is the SMILES notation for 1-methyl-4-nonylazetidin-2-one?
The canonical SMILES for 1-methyl-4-nonylazetidin-2-one is CCCCCCCCCC1CC(=O)N1C.
What is the InChIKey of 1-methyl-4-nonylazetidin-2-one?
The InChIKey is KZVMZGXXKOYZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-5-6-7-8-9-10-12-11-13(15)14(12)2/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-nonylazetidin-2-one?
1-methyl-4-nonylazetidin-2-one has a molecular weight of 211.35 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nonylazetidin-2-one is sourced from PubChem (CID 70542920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).