6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one

C14H15NO3 — CID 103162383

IUPAC6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)CC3CCC3)cc2N1
InChIInChI=1S/C14H15NO3/c16-12(6-9-2-1-3-9)10-4-5-13-11(7-10)15-14(17)8-18-13/h4-5,7,9H,1-3,6,8H2,(H,15,17)
InChIKeyJRQDDKCQOGGRIC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.39
Rot. Bonds3

About 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one

6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one (PubChem CID 103162383) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
PubChem CID103162383
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(C(=O)CC3CCC3)cc2N1
InChIInChI=1S/C14H15NO3/c16-12(6-9-2-1-3-9)10-4-5-13-11(7-10)15-14(17)8-18-13/h4-5,7,9H,1-3,6,8H2,(H,15,17)
InChIKeyJRQDDKCQOGGRIC-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
CID 68979581
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-cyclohexylpropanoate
CID 8815801
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
6-(oxolane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 43339532
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
6-(4-aminobutanoyl)-4H-1,4-benzoxazin-3-one
CID 82339476
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
N-cyclooctyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 51101453
3-oxo-N-(2-piperidin-3-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 119555122
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanenitrile
CID 116862102
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one (CID 103162383) is 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(C(=O)CC3CCC3)cc2N1.
What is the InChIKey of 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is JRQDDKCQOGGRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-12(6-9-2-1-3-9)10-4-5-13-11(7-10)15-14(17)8-18-13/h4-5,7,9H,1-3,6,8H2,(H,15,17).
What are the key properties of 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one?
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 245.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 103162383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).