6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one

C9H9NO2Se — CID 10377058

IUPAC6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one
SMILESCC(O)c1ccc2[nH]c(=O)[se]c2c1
InChIInChI=1S/C9H9NO2Se/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-5,11H,1H3,(H,10,12)
InChIKeyGBQKSLHQEUCTQP-UHFFFAOYSA-N
MW242.14 g/mol
LogP0.64
Rot. Bonds1

About 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one

6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one (PubChem CID 10377058) has the molecular formula C9H9NO2Se and a molecular weight of 242.14 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one
PubChem CID10377058
Molecular FormulaC9H9NO2Se
Molecular Weight242.14 g/mol
Exact Mass242.98
IUPAC Name6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one
SMILESCC(O)c1ccc2[nH]c(=O)[se]c2c1
InChIInChI=1S/C9H9NO2Se/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-5,11H,1H3,(H,10,12)
InChIKeyGBQKSLHQEUCTQP-UHFFFAOYSA-N
XLogP0.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
6-benzoyl-3H-1,3-benzoselenazol-2-one
CID 10447623
1-(9H-pyrido[2,3-b]indol-6-yl)ethanol
CID 57456842
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
4-[3-(1-hydroxyethyl)phenyl]-1,3-dihydroimidazol-2-one
CID 84672281
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
4-(1-hydroxyethyl)-2-propan-2-ylphenol
CID 82265836
2-amino-4-[(1R)-1-hydroxyethyl]phenol
CID 96570825

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one?
The IUPAC name of 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one (CID 10377058) is 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one?
The canonical SMILES for 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one is CC(O)c1ccc2[nH]c(=O)[se]c2c1.
What is the InChIKey of 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one?
The InChIKey is GBQKSLHQEUCTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2Se/c1-5(11)6-2-3-7-8(4-6)13-9(12)10-7/h2-5,11H,1H3,(H,10,12).
What are the key properties of 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one?
6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one has a molecular weight of 242.14 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-3H-1,3-benzoselenazol-2-one is sourced from PubChem (CID 10377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).