methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate

C15H25NO3 — CID 70253287

IUPACmethyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate
SMILESC=CCCCCCCC(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-8-11-14(17)16-12-9-10-13(16)15(18)19-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyQGRAWSBYPWVMDG-ZDUSSCGKSA-N
MW267.37 g/mol
LogP2.68
Rot. Bonds8

About methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate

methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate (PubChem CID 70253287) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate
PubChem CID70253287
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namemethyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate
SMILESC=CCCCCCCC(=O)N1CCC[C@H]1C(=O)OC
InChIInChI=1S/C15H25NO3/c1-3-4-5-6-7-8-11-14(17)16-12-9-10-13(16)15(18)19-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1
InChIKeyQGRAWSBYPWVMDG-ZDUSSCGKSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate (CID 70253287) is methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate is C=CCCCCCCC(=O)N1CCC[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate?
The InChIKey is QGRAWSBYPWVMDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-4-5-6-7-8-11-14(17)16-12-9-10-13(16)15(18)19-2/h3,13H,1,4-12H2,2H3/t13-/m0/s1.
What are the key properties of methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate?
methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-non-8-enoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 70253287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).