3-hydroxy-3-phenylazepan-2-one

C12H15NO2 — CID 13403455

IUPAC3-hydroxy-3-phenylazepan-2-one
SMILESO=C1NCCCCC1(O)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-11-12(15,8-4-5-9-13-11)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,13,14)
InChIKeyOCIAAOQWPUUHNB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.17
Rot. Bonds1

About 3-hydroxy-3-phenylazepan-2-one

3-hydroxy-3-phenylazepan-2-one (PubChem CID 13403455) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-hydroxy-3-phenylazepan-2-one.

Molecular Properties

Compound Name3-hydroxy-3-phenylazepan-2-one
PubChem CID13403455
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-hydroxy-3-phenylazepan-2-one
SMILESO=C1NCCCCC1(O)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-11-12(15,8-4-5-9-13-11)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,13,14)
InChIKeyOCIAAOQWPUUHNB-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-phenylazepan-2-one?
The IUPAC name of 3-hydroxy-3-phenylazepan-2-one (CID 13403455) is 3-hydroxy-3-phenylazepan-2-one.
What is the SMILES notation for 3-hydroxy-3-phenylazepan-2-one?
The canonical SMILES for 3-hydroxy-3-phenylazepan-2-one is O=C1NCCCCC1(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-3-phenylazepan-2-one?
The InChIKey is OCIAAOQWPUUHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-11-12(15,8-4-5-9-13-11)10-6-2-1-3-7-10/h1-3,6-7,15H,4-5,8-9H2,(H,13,14).
What are the key properties of 3-hydroxy-3-phenylazepan-2-one?
3-hydroxy-3-phenylazepan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-phenylazepan-2-one is sourced from PubChem (CID 13403455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).