3-(azepan-1-yl)-1,3-oxazolidin-2-one

C9H16N2O2 — CID 130355886

IUPAC3-(azepan-1-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N1CCCCCC1
InChIInChI=1S/C9H16N2O2/c12-9-11(7-8-13-9)10-5-3-1-2-4-6-10/h1-8H2
InChIKeyIGHKEKJRZLLUHM-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.23
Rot. Bonds1

About 3-(azepan-1-yl)-1,3-oxazolidin-2-one

3-(azepan-1-yl)-1,3-oxazolidin-2-one (PubChem CID 130355886) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(azepan-1-yl)-1,3-oxazolidin-2-one
PubChem CID130355886
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(azepan-1-yl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1N1CCCCCC1
InChIInChI=1S/C9H16N2O2/c12-9-11(7-8-13-9)10-5-3-1-2-4-6-10/h1-8H2
InChIKeyIGHKEKJRZLLUHM-UHFFFAOYSA-N
XLogP1.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(azepan-1-yl)-1,3-oxazolidin-2-one (CID 130355886) is 3-(azepan-1-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(azepan-1-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(azepan-1-yl)-1,3-oxazolidin-2-one is O=C1OCCN1N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-1,3-oxazolidin-2-one?
The InChIKey is IGHKEKJRZLLUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-9-11(7-8-13-9)10-5-3-1-2-4-6-10/h1-8H2.
What are the key properties of 3-(azepan-1-yl)-1,3-oxazolidin-2-one?
3-(azepan-1-yl)-1,3-oxazolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130355886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).