5-butoxypyrrolidin-2-one

C8H15NO2 — CID 15696557

IUPAC5-butoxypyrrolidin-2-one
SMILESCCCCOC1CCC(=O)N1
InChIInChI=1S/C8H15NO2/c1-2-3-6-11-8-5-4-7(10)9-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyNMFSZJKNGKBOEE-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.04
Rot. Bonds4

About 5-butoxypyrrolidin-2-one

5-butoxypyrrolidin-2-one (PubChem CID 15696557) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-butoxypyrrolidin-2-one.

Molecular Properties

Compound Name5-butoxypyrrolidin-2-one
PubChem CID15696557
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-butoxypyrrolidin-2-one
SMILESCCCCOC1CCC(=O)N1
InChIInChI=1S/C8H15NO2/c1-2-3-6-11-8-5-4-7(10)9-8/h8H,2-6H2,1H3,(H,9,10)
InChIKeyNMFSZJKNGKBOEE-UHFFFAOYSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pterolactam
CID 181561
(5R)-5-methoxypyrrolidin-2-one
CID 643445
5-Ethoxy-2-pyrrolidinone
CID 3580555
5-Methoxy-3,3-dimethyl-pyrrolidin-2-one
CID 565995
(s)-5-Methoxypyrrolidin-2-one
CID 40577037
N-(5-oxooxolan-2-yl)acetamide
CID 86011112
5-Ethoxy-1-(methoxymethyl)pyrrolidin-2-one
CID 92019314
methyl N-(5-oxooxolan-2-yl)carbamate
CID 10511146
(5S)-5-ethoxypyrrolidin-2-one
CID 7098911
5-Ethoxy-1-ethylpyrrolidin-2-one
CID 12086321
5-Acetoxy-2-pyrrolidinone
CID 13109684
[(2S)-5-oxopyrrolidin-2-yl] acetate
CID 13109685

Frequently Asked Questions

What is the IUPAC name of 5-butoxypyrrolidin-2-one?
The IUPAC name of 5-butoxypyrrolidin-2-one (CID 15696557) is 5-butoxypyrrolidin-2-one.
What is the SMILES notation for 5-butoxypyrrolidin-2-one?
The canonical SMILES for 5-butoxypyrrolidin-2-one is CCCCOC1CCC(=O)N1.
What is the InChIKey of 5-butoxypyrrolidin-2-one?
The InChIKey is NMFSZJKNGKBOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-6-11-8-5-4-7(10)9-8/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 5-butoxypyrrolidin-2-one?
5-butoxypyrrolidin-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxypyrrolidin-2-one is sourced from PubChem (CID 15696557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).