methyl 9-oxo-9-pyrrolidin-1-ylnonanoate

C14H25NO3 — CID 135391102

IUPACmethyl 9-oxo-9-pyrrolidin-1-ylnonanoate
SMILESCOC(=O)CCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)10-6-4-2-3-5-9-13(16)15-11-7-8-12-15/h2-12H2,1H3
InChIKeyPPXRNDIOVURYMQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.51
Rot. Bonds8

About methyl 9-oxo-9-pyrrolidin-1-ylnonanoate

methyl 9-oxo-9-pyrrolidin-1-ylnonanoate (PubChem CID 135391102) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 9-oxo-9-pyrrolidin-1-ylnonanoate.

Molecular Properties

Compound Namemethyl 9-oxo-9-pyrrolidin-1-ylnonanoate
PubChem CID135391102
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 9-oxo-9-pyrrolidin-1-ylnonanoate
SMILESCOC(=O)CCCCCCCC(=O)N1CCCC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)10-6-4-2-3-5-9-13(16)15-11-7-8-12-15/h2-12H2,1H3
InChIKeyPPXRNDIOVURYMQ-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 methyl 9-oxo-9-pyrrolidin-1-ylnonanoate?
The IUPAC name of methyl 9-oxo-9-pyrrolidin-1-ylnonanoate (CID 135391102) is methyl 9-oxo-9-pyrrolidin-1-ylnonanoate.
What is the SMILES notation for methyl 9-oxo-9-pyrrolidin-1-ylnonanoate?
The canonical SMILES for methyl 9-oxo-9-pyrrolidin-1-ylnonanoate is COC(=O)CCCCCCCC(=O)N1CCCC1.
What is the InChIKey of methyl 9-oxo-9-pyrrolidin-1-ylnonanoate?
The InChIKey is PPXRNDIOVURYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-14(17)10-6-4-2-3-5-9-13(16)15-11-7-8-12-15/h2-12H2,1H3.
What are the key properties of methyl 9-oxo-9-pyrrolidin-1-ylnonanoate?
methyl 9-oxo-9-pyrrolidin-1-ylnonanoate has a molecular weight of 255.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-oxo-9-pyrrolidin-1-ylnonanoate is sourced from PubChem (CID 135391102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).