7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one

C10H12N2O3 — CID 13090333

IUPAC7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C10H12N2O3/c11-4-8(13)6-1-2-7-9(3-6)15-5-10(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14)
InChIKeyYGGABEGDQJOEGN-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.01
Rot. Bonds2

About 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one

7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 13090333) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
PubChem CID13090333
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(O)c1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C10H12N2O3/c11-4-8(13)6-1-2-7-9(3-6)15-5-10(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14)
InChIKeyYGGABEGDQJOEGN-UHFFFAOYSA-N
XLogP0.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-chloro-1,2-dihydroxypropyl)-4H-1,4-benzoxazin-3-one
CID 171862818
2-(methylamino)-2-(3-oxo-4H-1,4-benzoxazin-7-yl)acetic acid
CID 116994774
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879
6-(1-hydroxy-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 82216259
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510
6-(1-hydroxy-2-piperidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 82216271
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390
3-amino-2-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115180423
6-[hydroxy(1H-pyrazol-5-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 114992868
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one (CID 13090333) is 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one is NCC(O)c1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is YGGABEGDQJOEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-4-8(13)6-1-2-7-9(3-6)15-5-10(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14).
What are the key properties of 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 208.22 g/mol, XLogP of 0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 13090333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).