spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one

C13H15NO2 — CID 652743

IUPACspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C13H15NO2/c15-12-10-6-2-3-7-11(10)16-13(14-12)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyGMKQOWMDPZAYKG-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds

About spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one

spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one (PubChem CID 652743) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one.

Molecular Properties

Compound Namespiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
PubChem CID652743
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Namespiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
SMILESO=C1NC2(CCCCC2)Oc2ccccc21
InChIInChI=1S/C13H15NO2/c15-12-10-6-2-3-7-11(10)16-13(14-12)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyGMKQOWMDPZAYKG-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-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

1'-ethylspiro[3H-1,3-benzoxazine-2,4'-piperidin-1-ium]-4-one
CID 6925492
4'-tert-butylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 599923
1'-ethylsulfonylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 20954795
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
1'-(pyridin-2-ylmethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16669352
1'-[1-(4-methoxyphenyl)cyclopentanecarbonyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 16672353
(2R)-1'-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95793127
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
1'-(4-methoxybenzoyl)spiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 134795655
3,3-dichlorospiro[chromene-2,1'-cyclohexane]-4-one
CID 11140652

Frequently Asked Questions

What is the IUPAC name of spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one?
The IUPAC name of spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one (CID 652743) is spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one.
What is the SMILES notation for spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one?
The canonical SMILES for spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one is O=C1NC2(CCCCC2)Oc2ccccc21.
What is the InChIKey of spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one?
The InChIKey is GMKQOWMDPZAYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-10-6-2-3-7-11(10)16-13(14-12)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15).
What are the key properties of spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one?
spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one has a molecular weight of 217.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 652743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).