2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone

C12H23NO2 — CID 116570636

IUPAC2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCOCC(=O)C1(CCC)CCNC1
InChIInChI=1S/C12H23NO2/c1-3-5-12(6-7-13-10-12)11(14)9-15-8-4-2/h13H,3-10H2,1-2H3
InChIKeyAEVRQLFKWXCRAG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.76
Rot. Bonds7

About 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone

2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone (PubChem CID 116570636) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
PubChem CID116570636
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone
SMILESCCCOCC(=O)C1(CCC)CCNC1
InChIInChI=1S/C12H23NO2/c1-3-5-12(6-7-13-10-12)11(14)9-15-8-4-2/h13H,3-10H2,1-2H3
InChIKeyAEVRQLFKWXCRAG-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
1-(3-propan-2-ylpyrrolidin-3-yl)-2-propoxyethanone
CID 106982213
1-(3-methylpiperidin-3-yl)-2-propoxyethanone
CID 116569485
2-cyclobutyl-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570525
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
1-(1-hydroxycyclopentyl)-2-propoxyethanone
CID 103447635
2-(1-methyltriazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062032
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570498

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone (CID 116570636) is 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone is CCCOCC(=O)C1(CCC)CCNC1.
What is the InChIKey of 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone?
The InChIKey is AEVRQLFKWXCRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-5-12(6-7-13-10-12)11(14)9-15-8-4-2/h13H,3-10H2,1-2H3.
What are the key properties of 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone?
2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone has a molecular weight of 213.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(3-propylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116570636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).