1-hexyl-1,3-diazetidin-2-one

C8H16N2O — CID 59733789

IUPAC1-hexyl-1,3-diazetidin-2-one
SMILESCCCCCCN1CNC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-6-10-7-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyAKHXHXKMDRASNQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.55
Rot. Bonds5

About 1-hexyl-1,3-diazetidin-2-one

1-hexyl-1,3-diazetidin-2-one (PubChem CID 59733789) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-hexyl-1,3-diazetidin-2-one.

Molecular Properties

Compound Name1-hexyl-1,3-diazetidin-2-one
PubChem CID59733789
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-hexyl-1,3-diazetidin-2-one
SMILESCCCCCCN1CNC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-4-5-6-10-7-9-8(10)11/h2-7H2,1H3,(H,9,11)
InChIKeyAKHXHXKMDRASNQ-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-1,3-diazetidin-2-one?
The IUPAC name of 1-hexyl-1,3-diazetidin-2-one (CID 59733789) is 1-hexyl-1,3-diazetidin-2-one.
What is the SMILES notation for 1-hexyl-1,3-diazetidin-2-one?
The canonical SMILES for 1-hexyl-1,3-diazetidin-2-one is CCCCCCN1CNC1=O.
What is the InChIKey of 1-hexyl-1,3-diazetidin-2-one?
The InChIKey is AKHXHXKMDRASNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-5-6-10-7-9-8(10)11/h2-7H2,1H3,(H,9,11).
What are the key properties of 1-hexyl-1,3-diazetidin-2-one?
1-hexyl-1,3-diazetidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-1,3-diazetidin-2-one is sourced from PubChem (CID 59733789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).