4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione

C14H23NO2 — CID 151997186

IUPAC4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione
SMILESO=C(CCC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H23NO2/c16-13(14(17)15-10-4-5-11-15)9-8-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyUFXRLNVGSKCMPA-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds4

About 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione

4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione (PubChem CID 151997186) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione.

Molecular Properties

Compound Name4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione
PubChem CID151997186
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione
SMILESO=C(CCC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H23NO2/c16-13(14(17)15-10-4-5-11-15)9-8-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyUFXRLNVGSKCMPA-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
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 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione?
The IUPAC name of 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione (CID 151997186) is 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione.
What is the SMILES notation for 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione?
The canonical SMILES for 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione is O=C(CCC1CCCCC1)C(=O)N1CCCC1.
What is the InChIKey of 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione?
The InChIKey is UFXRLNVGSKCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13(14(17)15-10-4-5-11-15)9-8-12-6-2-1-3-7-12/h12H,1-11H2.
What are the key properties of 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione?
4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione has a molecular weight of 237.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-pyrrolidin-1-ylbutane-1,2-dione is sourced from PubChem (CID 151997186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).