2-(oxazepin-3-yl)ethanol

C7H9NO2 — CID 151835304

IUPAC2-(oxazepin-3-yl)ethanol
SMILESOCCC1=NOC=CC=C1
InChIInChI=1S/C7H9NO2/c9-5-4-7-3-1-2-6-10-8-7/h1-3,6,9H,4-5H2
InChIKeySFNGSKVFQWHEQD-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.82
Rot. Bonds2

About 2-(oxazepin-3-yl)ethanol

2-(oxazepin-3-yl)ethanol (PubChem CID 151835304) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(oxazepin-3-yl)ethanol.

Molecular Properties

Compound Name2-(oxazepin-3-yl)ethanol
PubChem CID151835304
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-(oxazepin-3-yl)ethanol
SMILESOCCC1=NOC=CC=C1
InChIInChI=1S/C7H9NO2/c9-5-4-7-3-1-2-6-10-8-7/h1-3,6,9H,4-5H2
InChIKeySFNGSKVFQWHEQD-UHFFFAOYSA-N
XLogP0.82
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxazepin-3-yl)ethanol?
The IUPAC name of 2-(oxazepin-3-yl)ethanol (CID 151835304) is 2-(oxazepin-3-yl)ethanol.
What is the SMILES notation for 2-(oxazepin-3-yl)ethanol?
The canonical SMILES for 2-(oxazepin-3-yl)ethanol is OCCC1=NOC=CC=C1.
What is the InChIKey of 2-(oxazepin-3-yl)ethanol?
The InChIKey is SFNGSKVFQWHEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-5-4-7-3-1-2-6-10-8-7/h1-3,6,9H,4-5H2.
What are the key properties of 2-(oxazepin-3-yl)ethanol?
2-(oxazepin-3-yl)ethanol has a molecular weight of 139.15 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxazepin-3-yl)ethanol is sourced from PubChem (CID 151835304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).