(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate

C15H23NO3 — CID 163633519

IUPAC(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate
SMILESCC1CCC(=O)N1OC(=O)C[C@@H]1C=CCCCCC1
InChIInChI=1S/C15H23NO3/c1-12-9-10-14(17)16(12)19-15(18)11-13-7-5-3-2-4-6-8-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12?,13-/m1/s1
InChIKeyHYDCUFFFGMVBMR-ZGTCLIOFSA-N
MW265.35 g/mol
LogP2.98
Rot. Bonds3

About (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate

(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate (PubChem CID 163633519) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate.

Molecular Properties

Compound Name(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate
PubChem CID163633519
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate
SMILESCC1CCC(=O)N1OC(=O)C[C@@H]1C=CCCCCC1
InChIInChI=1S/C15H23NO3/c1-12-9-10-14(17)16(12)19-15(18)11-13-7-5-3-2-4-6-8-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12?,13-/m1/s1
InChIKeyHYDCUFFFGMVBMR-ZGTCLIOFSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(5R)-2-oxo-5-[(E,4R)-10,10,10-trihydroxy-4-methyldec-1-en-6-ynyl]pyrrolidin-1-yl] 2-methylheptanoate
CID 90426308
methyl 2-[(9R,9aS)-3-oxo-1,2,5,6,9,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]acetate
CID 11206842
methyl (2S)-2-[(9R,9aS)-3-oxo-1,2,5,6,9,9a-hexahydropyrrolo[1,2-a]azepin-9-yl]butanoate
CID 53304451
(2,5-dioxopyrrolidin-1-yl) 2-[(3Z)-cyclooct-3-en-1-yl]acetate
CID 71466310

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate?
The IUPAC name of (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate (CID 163633519) is (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate.
What is the SMILES notation for (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate?
The canonical SMILES for (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate is CC1CCC(=O)N1OC(=O)C[C@@H]1C=CCCCCC1.
What is the InChIKey of (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate?
The InChIKey is HYDCUFFFGMVBMR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12-9-10-14(17)16(12)19-15(18)11-13-7-5-3-2-4-6-8-13/h5,7,12-13H,2-4,6,8-11H2,1H3/t12?,13-/m1/s1.
What are the key properties of (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate?
(2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxopyrrolidin-1-yl) 2-[(1R)-cyclooct-2-en-1-yl]acetate is sourced from PubChem (CID 163633519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).