4-(3-hydroxyazetidin-1-yl)azepan-2-one

C9H16N2O2 — CID 63888892

IUPAC4-(3-hydroxyazetidin-1-yl)azepan-2-one
SMILESO=C1CC(N2CC(O)C2)CCCN1
InChIInChI=1S/C9H16N2O2/c12-8-5-11(6-8)7-2-1-3-10-9(13)4-7/h7-8,12H,1-6H2,(H,10,13)
InChIKeyJZRZWPNVFBBWPV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.67
Rot. Bonds1

About 4-(3-hydroxyazetidin-1-yl)azepan-2-one

4-(3-hydroxyazetidin-1-yl)azepan-2-one (PubChem CID 63888892) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(3-hydroxyazetidin-1-yl)azepan-2-one.

Molecular Properties

Compound Name4-(3-hydroxyazetidin-1-yl)azepan-2-one
PubChem CID63888892
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(3-hydroxyazetidin-1-yl)azepan-2-one
SMILESO=C1CC(N2CC(O)C2)CCCN1
InChIInChI=1S/C9H16N2O2/c12-8-5-11(6-8)7-2-1-3-10-9(13)4-7/h7-8,12H,1-6H2,(H,10,13)
InChIKeyJZRZWPNVFBBWPV-UHFFFAOYSA-N
XLogP-0.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyazetidin-1-yl)azepan-2-one?
The IUPAC name of 4-(3-hydroxyazetidin-1-yl)azepan-2-one (CID 63888892) is 4-(3-hydroxyazetidin-1-yl)azepan-2-one.
What is the SMILES notation for 4-(3-hydroxyazetidin-1-yl)azepan-2-one?
The canonical SMILES for 4-(3-hydroxyazetidin-1-yl)azepan-2-one is O=C1CC(N2CC(O)C2)CCCN1.
What is the InChIKey of 4-(3-hydroxyazetidin-1-yl)azepan-2-one?
The InChIKey is JZRZWPNVFBBWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-8-5-11(6-8)7-2-1-3-10-9(13)4-7/h7-8,12H,1-6H2,(H,10,13).
What are the key properties of 4-(3-hydroxyazetidin-1-yl)azepan-2-one?
4-(3-hydroxyazetidin-1-yl)azepan-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyazetidin-1-yl)azepan-2-one is sourced from PubChem (CID 63888892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).