(2R)-2,4-diethyl-1,4-benzoxazin-3-one

C12H15NO2 — CID 140970605

IUPAC(2R)-2,4-diethyl-1,4-benzoxazin-3-one
SMILESCC[C@H]1Oc2ccccc2N(CC)C1=O
InChIInChI=1S/C12H15NO2/c1-3-10-12(14)13(4-2)9-7-5-6-8-11(9)15-10/h5-8,10H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyOWHHQZAWOPOWJE-SNVBAGLBSA-N
MW205.26 g/mol
LogP2.21
Rot. Bonds2

About (2R)-2,4-diethyl-1,4-benzoxazin-3-one

(2R)-2,4-diethyl-1,4-benzoxazin-3-one (PubChem CID 140970605) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2R)-2,4-diethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name(2R)-2,4-diethyl-1,4-benzoxazin-3-one
PubChem CID140970605
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2R)-2,4-diethyl-1,4-benzoxazin-3-one
SMILESCC[C@H]1Oc2ccccc2N(CC)C1=O
InChIInChI=1S/C12H15NO2/c1-3-10-12(14)13(4-2)9-7-5-6-8-11(9)15-10/h5-8,10H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyOWHHQZAWOPOWJE-SNVBAGLBSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-4-[(4-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 4278808
2-ethyl-4-[(2-fluorophenyl)methyl]-1,4-benzoxazin-3-one
CID 4278813
N-cyclopropyl-2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 3155025
N-cyclopropyl-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 757970
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
methyl (2R)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxylate
CID 10635262
3-[3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]propanoic acid
CID 92942633
3-[3-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoylamino]propanoic acid
CID 92942632
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
4-hexyl-2-propyl-1,4-benzoxazin-3-one
CID 71156433
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 653285
N-cyclododecyl-3-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 110830582

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diethyl-1,4-benzoxazin-3-one?
The IUPAC name of (2R)-2,4-diethyl-1,4-benzoxazin-3-one (CID 140970605) is (2R)-2,4-diethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for (2R)-2,4-diethyl-1,4-benzoxazin-3-one?
The canonical SMILES for (2R)-2,4-diethyl-1,4-benzoxazin-3-one is CC[C@H]1Oc2ccccc2N(CC)C1=O.
What is the InChIKey of (2R)-2,4-diethyl-1,4-benzoxazin-3-one?
The InChIKey is OWHHQZAWOPOWJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10-12(14)13(4-2)9-7-5-6-8-11(9)15-10/h5-8,10H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2,4-diethyl-1,4-benzoxazin-3-one?
(2R)-2,4-diethyl-1,4-benzoxazin-3-one has a molecular weight of 205.26 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 140970605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).