1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione

C12H19NO2 — CID 166438162

IUPAC1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione
SMILESCC(C)C1C(=O)C(=O)N1C1CCCCC1
InChIInChI=1S/C12H19NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeySIYMBSHALSNWGH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.75
Rot. Bonds2

About 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione

1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione (PubChem CID 166438162) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione.

Molecular Properties

Compound Name1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione
PubChem CID166438162
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione
SMILESCC(C)C1C(=O)C(=O)N1C1CCCCC1
InChIInChI=1S/C12H19NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeySIYMBSHALSNWGH-UHFFFAOYSA-N
XLogP1.75
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione?
The IUPAC name of 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione (CID 166438162) is 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione.
What is the SMILES notation for 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione?
The canonical SMILES for 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione is CC(C)C1C(=O)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione?
The InChIKey is SIYMBSHALSNWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)10-11(14)12(15)13(10)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione?
1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione has a molecular weight of 209.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-propan-2-ylazetidine-2,3-dione is sourced from PubChem (CID 166438162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).