1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one

C15H26N2O3 — CID 67625232

IUPAC1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
SMILESO=C1CCCCCN1CCCOCCN1CCCC1=O
InChIInChI=1S/C15H26N2O3/c18-14-6-2-1-3-8-16(14)10-5-12-20-13-11-17-9-4-7-15(17)19/h1-13H2
InChIKeyPTPXDLRWOYSKGF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.42
Rot. Bonds7

About 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one

1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one (PubChem CID 67625232) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one.

Molecular Properties

Compound Name1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
PubChem CID67625232
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
SMILESO=C1CCCCCN1CCCOCCN1CCCC1=O
InChIInChI=1S/C15H26N2O3/c18-14-6-2-1-3-8-16(14)10-5-12-20-13-11-17-9-4-7-15(17)19/h1-13H2
InChIKeyPTPXDLRWOYSKGF-UHFFFAOYSA-N
XLogP1.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.42
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

1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[4-(2-oxopyrrolidin-1-yl)butoxy]propyl]azepan-2-one
CID 67617639
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[(2-oxoazepan-1-yl)methoxymethyl]azepan-2-one;bis(1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one);1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one;1-[(2-oxopiperidin-1-yl)methoxymethyl]piperidin-2-one;1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]piperidin-2-one;1-[4-[4-(2-oxopyrrolidin-1-yl)butoxy]butyl]pyrrolidin-2-one;1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]pyrrolidin-2-one;1-[2-[(2-oxopyrrolidin-1-yl)methoxy]ethyl]pyrrolidin-2-one;1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one;1-[3-[3-(2-oxopyrrolidin-1-yl)propoxy]propyl]pyrrolidin-2-one
CID 160575603
1-[4-[3-(2-oxopyrrolidin-1-yl)propoxy]butyl]pyrrolidin-2-one
CID 67634239
1-[4-[(2-oxopyrrolidin-1-yl)methoxy]butyl]azepan-2-one
CID 67979069
1-[2-[2-(3-aminopropoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 71094030
1-[4-[(2-oxopiperidin-1-yl)methoxy]butyl]piperidin-2-one
CID 57384624
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
3-(2-oxopyrrolidin-1-yl)propoxy thiohypoiodite
CID 177176596

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one?
The IUPAC name of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one (CID 67625232) is 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one.
What is the SMILES notation for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one?
The canonical SMILES for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one is O=C1CCCCCN1CCCOCCN1CCCC1=O.
What is the InChIKey of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one?
The InChIKey is PTPXDLRWOYSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14-6-2-1-3-8-16(14)10-5-12-20-13-11-17-9-4-7-15(17)19/h1-13H2.
What are the key properties of 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one?
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one has a molecular weight of 282.38 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one is sourced from PubChem (CID 67625232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).