8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one

C13H15NO3 — CID 115097570

IUPAC8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
SMILESCOc1cccc2c1OC1(CCCC1)C(=O)N2
InChIInChI=1S/C13H15NO3/c1-16-10-6-4-5-9-11(10)17-13(12(15)14-9)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,14,15)
InChIKeyKSKKKFGYCLBKGH-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds1

About 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one

8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one (PubChem CID 115097570) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one.

Molecular Properties

Compound Name8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
PubChem CID115097570
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one
SMILESCOc1cccc2c1OC1(CCCC1)C(=O)N2
InChIInChI=1S/C13H15NO3/c1-16-10-6-4-5-9-11(10)17-13(12(15)14-9)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,14,15)
InChIKeyKSKKKFGYCLBKGH-UHFFFAOYSA-N
XLogP2.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
4-methoxyspiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 143197620
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115097958
9-methoxyspiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclopentane]-4-one
CID 115099479
8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
5-methoxy-2'-methylidenespiro[4H-isochromene-3,1'-cyclohexane]-1-one
CID 102417201
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 115095090
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
methyl 4-oxospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopentane]-9-carboxylate
CID 115100013

Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one?
The IUPAC name of 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one (CID 115097570) is 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one.
What is the SMILES notation for 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one?
The canonical SMILES for 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one is COc1cccc2c1OC1(CCCC1)C(=O)N2.
What is the InChIKey of 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one?
The InChIKey is KSKKKFGYCLBKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-10-6-4-5-9-11(10)17-13(12(15)14-9)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,14,15).
What are the key properties of 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one?
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one has a molecular weight of 233.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-3-one is sourced from PubChem (CID 115097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).