6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one

C10H11NO3 — CID 47003494

IUPAC6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyMPRYXQYGRGVBMD-ZCFIWIBFSA-N
MW193.20 g/mol
LogP1.07
Rot. Bonds1

About 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one

6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 47003494) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
PubChem CID47003494
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
SMILESC[C@@H](O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H11NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1
InChIKeyMPRYXQYGRGVBMD-ZCFIWIBFSA-N
XLogP1.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770
6-[hydroxy-(4-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082397
6-[1-hydroxy-3-(methylamino)propyl]-4H-1,4-benzoxazin-3-one
CID 82496759
2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 171868946
6-[(3,5-dichlorophenyl)-hydroxymethyl]-4H-1,4-benzoxazin-3-one
CID 61082606
6-(1-chloro-3-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085016
6-(1-chloro-2-methylbutyl)-4H-1,4-benzoxazin-3-one
CID 61085852
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 61499457
6-[amino(bromo)methyl]-4H-1,4-benzoxazin-3-one
CID 116947633
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one (CID 47003494) is 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one is C[C@@H](O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MPRYXQYGRGVBMD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6(12)7-2-3-9-8(4-7)11-10(13)5-14-9/h2-4,6,12H,5H2,1H3,(H,11,13)/t6-/m1/s1.
What are the key properties of 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one?
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 193.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 47003494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).