7-(2-oxopyrrolidin-1-yl)azepan-2-one

C10H16N2O2 — CID 90764897

IUPAC7-(2-oxopyrrolidin-1-yl)azepan-2-one
SMILESO=C1CCCCC(N2CCCC2=O)N1
InChIInChI=1S/C10H16N2O2/c13-9-5-2-1-4-8(11-9)12-7-3-6-10(12)14/h8H,1-7H2,(H,11,13)
InChIKeyYFTIODBWBRRJOG-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.63
Rot. Bonds1

About 7-(2-oxopyrrolidin-1-yl)azepan-2-one

7-(2-oxopyrrolidin-1-yl)azepan-2-one (PubChem CID 90764897) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7-(2-oxopyrrolidin-1-yl)azepan-2-one.

Molecular Properties

Compound Name7-(2-oxopyrrolidin-1-yl)azepan-2-one
PubChem CID90764897
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name7-(2-oxopyrrolidin-1-yl)azepan-2-one
SMILESO=C1CCCCC(N2CCCC2=O)N1
InChIInChI=1S/C10H16N2O2/c13-9-5-2-1-4-8(11-9)12-7-3-6-10(12)14/h8H,1-7H2,(H,11,13)
InChIKeyYFTIODBWBRRJOG-UHFFFAOYSA-N
XLogP0.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxopyrrolidin-1-yl)azepan-2-one?
The IUPAC name of 7-(2-oxopyrrolidin-1-yl)azepan-2-one (CID 90764897) is 7-(2-oxopyrrolidin-1-yl)azepan-2-one.
What is the SMILES notation for 7-(2-oxopyrrolidin-1-yl)azepan-2-one?
The canonical SMILES for 7-(2-oxopyrrolidin-1-yl)azepan-2-one is O=C1CCCCC(N2CCCC2=O)N1.
What is the InChIKey of 7-(2-oxopyrrolidin-1-yl)azepan-2-one?
The InChIKey is YFTIODBWBRRJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-5-2-1-4-8(11-9)12-7-3-6-10(12)14/h8H,1-7H2,(H,11,13).
What are the key properties of 7-(2-oxopyrrolidin-1-yl)azepan-2-one?
7-(2-oxopyrrolidin-1-yl)azepan-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxopyrrolidin-1-yl)azepan-2-one is sourced from PubChem (CID 90764897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).