5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one

C10H11NO2 — CID 142944194

IUPAC5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCCc1cccc2c1COC(=O)N2
InChIInChI=1S/C10H11NO2/c1-2-7-4-3-5-9-8(7)6-13-10(12)11-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyITCABFJBYLIEHW-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.31
Rot. Bonds1

About 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one

5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one (PubChem CID 142944194) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one
PubChem CID142944194
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one
SMILESCCc1cccc2c1COC(=O)N2
InChIInChI=1S/C10H11NO2/c1-2-7-4-3-5-9-8(7)6-13-10(12)11-9/h3-5H,2,6H2,1H3,(H,11,12)
InChIKeyITCABFJBYLIEHW-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-ethyl-2,3-dihydroisoindol-1-one;piperidine-2,6-dione
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(5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 130040422
[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130701482
5-ethyl-3,3-dimethyl-1,4-dihydroquinoxalin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one?
The IUPAC name of 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one (CID 142944194) is 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one.
What is the SMILES notation for 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one?
The canonical SMILES for 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one is CCc1cccc2c1COC(=O)N2.
What is the InChIKey of 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one?
The InChIKey is ITCABFJBYLIEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-4-3-5-9-8(7)6-13-10(12)11-9/h3-5H,2,6H2,1H3,(H,11,12).
What are the key properties of 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one?
5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one has a molecular weight of 177.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,4-dihydro-3,1-benzoxazin-2-one is sourced from PubChem (CID 142944194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).