1,4-dicyclohexylazetidine-2,3-dione

C15H23NO2 — CID 166437423

IUPAC1,4-dicyclohexylazetidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C15H23NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeySUFKVVDNVUXOKC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.68
Rot. Bonds2

About 1,4-dicyclohexylazetidine-2,3-dione

1,4-dicyclohexylazetidine-2,3-dione (PubChem CID 166437423) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1,4-dicyclohexylazetidine-2,3-dione.

Molecular Properties

Compound Name1,4-dicyclohexylazetidine-2,3-dione
PubChem CID166437423
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1,4-dicyclohexylazetidine-2,3-dione
SMILESO=C1C(=O)N(C2CCCCC2)C1C1CCCCC1
InChIInChI=1S/C15H23NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeySUFKVVDNVUXOKC-UHFFFAOYSA-N
XLogP2.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-1,4-Diacetyl-3-butyl-azetidin-2-one
CID 44319383
1-Cyclohexyl-2-piperidin-1-ylethane-1,2-dione
CID 86093433
1-Cyclohexyl-1-azaspiro[3.5]nonan-2-one
CID 134968999
1-Cyclohexyl-4-propan-2-ylazetidine-2,3-dione
CID 166438162
1-Tert-butyl-4-cyclohexylazetidine-2,3-dione
CID 166438371
1-[(2S)-2-amino-2-cyclohexylacetyl]azetidin-3-one
CID 10353069
N-(2,5-dioxohexan-3-yl)-N-ethylcyclohexanecarboxamide
CID 57108080
1-[(2S)-2-acetylpiperidin-1-yl]-2-cyclohexylethane-1,2-dione
CID 60113392
2-Acetyl-7-ethyl-1-azabicyclo[4.2.0]octan-8-one
CID 60140342
1-(2-Amino-2-cyclohexylacetyl)azetidin-3-one
CID 69867991
1-[1-(Cyclohexanecarbonyl)azetidin-3-yl]ethanone
CID 70904803
1-[2-(Cyclohexanecarbonyl)piperidin-1-yl]propan-1-one
CID 71192094

Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclohexylazetidine-2,3-dione?
The IUPAC name of 1,4-dicyclohexylazetidine-2,3-dione (CID 166437423) is 1,4-dicyclohexylazetidine-2,3-dione.
What is the SMILES notation for 1,4-dicyclohexylazetidine-2,3-dione?
The canonical SMILES for 1,4-dicyclohexylazetidine-2,3-dione is O=C1C(=O)N(C2CCCCC2)C1C1CCCCC1.
What is the InChIKey of 1,4-dicyclohexylazetidine-2,3-dione?
The InChIKey is SUFKVVDNVUXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14-13(11-7-3-1-4-8-11)16(15(14)18)12-9-5-2-6-10-12/h11-13H,1-10H2.
What are the key properties of 1,4-dicyclohexylazetidine-2,3-dione?
1,4-dicyclohexylazetidine-2,3-dione has a molecular weight of 249.35 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexylazetidine-2,3-dione is sourced from PubChem (CID 166437423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).