nonyl 2-(2-oxopyrrolidin-1-yl)acetate

C15H27NO3 — CID 10778404

IUPACnonyl 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCCCCCCCCOC(=O)CN1CCCC1=O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-12-19-15(18)13-16-11-9-10-14(16)17/h2-13H2,1H3
InChIKeyBFSRCRMPQLRZHU-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.90
Rot. Bonds10

About nonyl 2-(2-oxopyrrolidin-1-yl)acetate

nonyl 2-(2-oxopyrrolidin-1-yl)acetate (PubChem CID 10778404) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is nonyl 2-(2-oxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namenonyl 2-(2-oxopyrrolidin-1-yl)acetate
PubChem CID10778404
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Namenonyl 2-(2-oxopyrrolidin-1-yl)acetate
SMILESCCCCCCCCCOC(=O)CN1CCCC1=O
InChIInChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-12-19-15(18)13-16-11-9-10-14(16)17/h2-13H2,1H3
InChIKeyBFSRCRMPQLRZHU-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.90
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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Related Compounds

hexyl 2-[2-oxo-3-(2-oxopyrrolidin-1-yl)azepan-1-yl]acetate
CID 101123348
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
1-decylazepan-2-one;1-dodecylazepan-2-one;ethyl 2-(2-oxoazepan-1-yl)acetate;ethyl 3-(2-oxoazepan-1-yl)propanoate;1-hexylazepan-2-one;1-octylazepan-2-one
CID 158138432
(2-oxopyrrolidin-1-yl)methyl octadecanoate
CID 175360179
1-dodecylpyrrolidin-2-one
CID 70222371
1-hexylpyrrolidin-2-one
CID 158904818
octadecyl 2-(2,4,6-trioxo-1,3-diazinan-1-yl)acetate
CID 22737407
butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate
CID 54979342
1-(hexoxymethyl)azepan-2-one
CID 15346510
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
dimethyl-[(2-oxopyrrolidin-1-yl)methyl]-(4-tetradecoxybutyl)azanium chloride
CID 67875719
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(2-oxopyrrolidin-1-yl)acetate?
The IUPAC name of nonyl 2-(2-oxopyrrolidin-1-yl)acetate (CID 10778404) is nonyl 2-(2-oxopyrrolidin-1-yl)acetate.
What is the SMILES notation for nonyl 2-(2-oxopyrrolidin-1-yl)acetate?
The canonical SMILES for nonyl 2-(2-oxopyrrolidin-1-yl)acetate is CCCCCCCCCOC(=O)CN1CCCC1=O.
What is the InChIKey of nonyl 2-(2-oxopyrrolidin-1-yl)acetate?
The InChIKey is BFSRCRMPQLRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-12-19-15(18)13-16-11-9-10-14(16)17/h2-13H2,1H3.
What are the key properties of nonyl 2-(2-oxopyrrolidin-1-yl)acetate?
nonyl 2-(2-oxopyrrolidin-1-yl)acetate has a molecular weight of 269.38 g/mol, XLogP of 2.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(2-oxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 10778404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).