1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

C12H20N2O2 — CID 22945841

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
SMILESO=C(CN1CCCCCC1=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13/h1-10H2
InChIKeyQMMUUOBRIJYXOE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds2

About 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one

1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one (PubChem CID 22945841) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
PubChem CID22945841
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one
SMILESO=C(CN1CCCCCC1=O)N1CCCC1
InChIInChI=1S/C12H20N2O2/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13/h1-10H2
InChIKeyQMMUUOBRIJYXOE-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one (CID 22945841) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one is O=C(CN1CCCCCC1=O)N1CCCC1.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
The InChIKey is QMMUUOBRIJYXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-6-2-1-3-9-14(11)10-12(16)13-7-4-5-8-13/h1-10H2.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one?
1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one has a molecular weight of 224.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-2-one is sourced from PubChem (CID 22945841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).