1-(pentylamino)azetidin-2-one

C8H16N2O — CID 67724941

IUPAC1-(pentylamino)azetidin-2-one
SMILESCCCCCNN1CCC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-4-6-9-10-7-5-8(10)11/h9H,2-7H2,1H3
InChIKeyOCPMIRDQMGAFOZ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.91
Rot. Bonds5

About 1-(pentylamino)azetidin-2-one

1-(pentylamino)azetidin-2-one (PubChem CID 67724941) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(pentylamino)azetidin-2-one.

Molecular Properties

Compound Name1-(pentylamino)azetidin-2-one
PubChem CID67724941
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(pentylamino)azetidin-2-one
SMILESCCCCCNN1CCC1=O
InChIInChI=1S/C8H16N2O/c1-2-3-4-6-9-10-7-5-8(10)11/h9H,2-7H2,1H3
InChIKeyOCPMIRDQMGAFOZ-UHFFFAOYSA-N
XLogP0.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octylaziridin-1-amine
CID 175164558
N-octadecylaziridin-1-amine
CID 56627527
1-(pentylamino)oxypyrrolidine-2,5-dione
CID 121327538
1-(hexylamino)pyrrole-2,5-dione
CID 68628927
N-icosylpyrrolidin-1-amine
CID 23212585
3-oxo-N,2-dipentylpyrazolidine-1-carbothioamide
CID 88701738
4-(pentylamino)-3H-1,2,4-triazole-5-thione
CID 88751327
N-hexyl-1,1-dioxo-1,4-thiazinan-4-amine
CID 67486995
cyclopentanone;heptane
CID 20975482
4-methyl-N-octylpiperazin-1-amine
CID 83010569
1-pentadecylpiperidin-4-one
CID 10267366
N-pentadecylpiperazin-1-amine
CID 11690308

Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)azetidin-2-one?
The IUPAC name of 1-(pentylamino)azetidin-2-one (CID 67724941) is 1-(pentylamino)azetidin-2-one.
What is the SMILES notation for 1-(pentylamino)azetidin-2-one?
The canonical SMILES for 1-(pentylamino)azetidin-2-one is CCCCCNN1CCC1=O.
What is the InChIKey of 1-(pentylamino)azetidin-2-one?
The InChIKey is OCPMIRDQMGAFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-4-6-9-10-7-5-8(10)11/h9H,2-7H2,1H3.
What are the key properties of 1-(pentylamino)azetidin-2-one?
1-(pentylamino)azetidin-2-one has a molecular weight of 156.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)azetidin-2-one is sourced from PubChem (CID 67724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).