8-ethyl-4H-1,4-benzoxazin-3-one

C10H11NO2 — CID 68908542

IUPAC8-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H11NO2/c1-2-7-4-3-5-8-10(7)13-6-9(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyGIYIPNVUENKRET-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.58
Rot. Bonds1

About 8-ethyl-4H-1,4-benzoxazin-3-one

8-ethyl-4H-1,4-benzoxazin-3-one (PubChem CID 68908542) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 8-ethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-ethyl-4H-1,4-benzoxazin-3-one
PubChem CID68908542
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name8-ethyl-4H-1,4-benzoxazin-3-one
SMILESCCc1cccc2c1OCC(=O)N2
InChIInChI=1S/C10H11NO2/c1-2-7-4-3-5-8-10(7)13-6-9(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyGIYIPNVUENKRET-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-oxo-4H-1,4-benzoxazin-8-yl)butanoic acid
CID 117341847
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
4-[(3-oxo-4H-1,4-benzoxazin-8-yl)methyl]piperidine-1-carboxylic acid
CID 69414379
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
8-(2-amino-1-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 118692879
3-(2-fluorophenyl)-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-8-yl)propanamide
CID 110309220
methyl 2-hydroxy-2-(3-oxo-4H-1,4-benzoxazin-8-yl)acetate
CID 117346035
5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one
CID 142944194
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
8-(dimethylsulfamoylamino)-3-oxo-4H-1,4-benzoxazine
CID 110291818

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-ethyl-4H-1,4-benzoxazin-3-one (CID 68908542) is 8-ethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-ethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-ethyl-4H-1,4-benzoxazin-3-one is CCc1cccc2c1OCC(=O)N2.
What is the InChIKey of 8-ethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is GIYIPNVUENKRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-4-3-5-8-10(7)13-6-9(12)11-8/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 8-ethyl-4H-1,4-benzoxazin-3-one?
8-ethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 177.20 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 68908542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).