6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one

C12H13NO3 — CID 170070192

IUPAC6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one
SMILESCc1ccc2c(c1)NC(=O)C1(CCOC1)O2
InChIInChI=1S/C12H13NO3/c1-8-2-3-10-9(6-8)13-11(14)12(16-10)4-5-15-7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyKTKHTJZKVBUCNF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.49
Rot. Bonds

About 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one

6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one (PubChem CID 170070192) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one.

Molecular Properties

Compound Name6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one
PubChem CID170070192
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one
SMILESCc1ccc2c(c1)NC(=O)C1(CCOC1)O2
InChIInChI=1S/C12H13NO3/c1-8-2-3-10-9(6-8)13-11(14)12(16-10)4-5-15-7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyKTKHTJZKVBUCNF-UHFFFAOYSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-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

7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
methyl (2R)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxylate
CID 10944406
2-(aminomethyl)-2-(iodomethyl)-6-methyl-4H-1,4-benzoxazin-3-one
CID 170070191
2,6-dimethyl-3-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-4H-1,4-benzoxazine-2-carboxamide
CID 91957994
6'-methylspiro[1,4-dioxane-2,2'-1H-indole]-3'-one
CID 56648372
fluoromethane;6-methyl-4H-1,4-benzoxazin-3-one
CID 143760014
N-(2,6-dimethylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796217
2,6-dimethyl-N-(5-methyl-2-pyridinyl)-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75769872
N-butan-2-yl-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75768481
N-(3-carbamoylphenyl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 56686410
ethane;2,2,7-trimethyl-4H-1,4-benzoxazin-3-one
CID 143767422

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one?
The IUPAC name of 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one (CID 170070192) is 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one.
What is the SMILES notation for 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one?
The canonical SMILES for 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one is Cc1ccc2c(c1)NC(=O)C1(CCOC1)O2.
What is the InChIKey of 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one?
The InChIKey is KTKHTJZKVBUCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-2-3-10-9(6-8)13-11(14)12(16-10)4-5-15-7-12/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one?
6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one has a molecular weight of 219.24 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[4H-1,4-benzoxazine-2,3'-oxolane]-3-one is sourced from PubChem (CID 170070192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).