8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one

C10H12N2O3 — CID 118692879

IUPAC8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H12N2O3/c11-4-8(13)6-2-1-3-7-10(6)15-5-9(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14)
InChIKeyJRUDXCKJHUGQLC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.01
Rot. Bonds2

About 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one

8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 118692879) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
PubChem CID118692879
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(O)c1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H12N2O3/c11-4-8(13)6-2-1-3-7-10(6)15-5-9(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14)
InChIKeyJRUDXCKJHUGQLC-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

methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
CID 117346035
8-ethyl-4H-1,4-benzoxazin-3-one
CID 68908542
7-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 13090333
4-(3-oxo-4H-1,4-benzoxazin-8-yl)butanoic acid
CID 117341847
3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701488
3-oxo-4H-1,4-benzoxazine-8-sulfonyl chloride
CID 55279078
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
3-oxo-N,N-dipropyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701565
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
2,2-difluoro-8-(2-fluoro-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 123819481
8-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120805444

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one (CID 118692879) is 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one is NCC(O)c1cccc2c1OCC(=O)N2.
What is the InChIKey of 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is JRUDXCKJHUGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-4-8(13)6-2-1-3-7-10(6)15-5-9(14)12-7/h1-3,8,13H,4-5,11H2,(H,12,14).
What are the key properties of 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one?
8-(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 8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 118692879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).