nonan-2-yl 5-oxopyrrolidine-2-carboxylate

C14H25NO3 — CID 19939356

IUPACnonan-2-yl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCC(C)OC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-8-11(2)18-14(17)12-9-10-13(16)15-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyBGSPLDJSXSTGPV-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.56
Rot. Bonds8

About nonan-2-yl 5-oxopyrrolidine-2-carboxylate

nonan-2-yl 5-oxopyrrolidine-2-carboxylate (PubChem CID 19939356) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is nonan-2-yl 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namenonan-2-yl 5-oxopyrrolidine-2-carboxylate
PubChem CID19939356
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namenonan-2-yl 5-oxopyrrolidine-2-carboxylate
SMILESCCCCCCCC(C)OC(=O)C1CCC(=O)N1
InChIInChI=1S/C14H25NO3/c1-3-4-5-6-7-8-11(2)18-14(17)12-9-10-13(16)15-12/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyBGSPLDJSXSTGPV-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 nonan-2-yl 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of nonan-2-yl 5-oxopyrrolidine-2-carboxylate (CID 19939356) is nonan-2-yl 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for nonan-2-yl 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for nonan-2-yl 5-oxopyrrolidine-2-carboxylate is CCCCCCCC(C)OC(=O)C1CCC(=O)N1.
What is the InChIKey of nonan-2-yl 5-oxopyrrolidine-2-carboxylate?
The InChIKey is BGSPLDJSXSTGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-4-5-6-7-8-11(2)18-14(17)12-9-10-13(16)15-12/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of nonan-2-yl 5-oxopyrrolidine-2-carboxylate?
nonan-2-yl 5-oxopyrrolidine-2-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonan-2-yl 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 19939356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).