5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

C12H13ClN2O2 — CID 117103622

IUPAC5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2cccc(Cl)c2C2(CCNCC2)O1
InChIInChI=1S/C12H13ClN2O2/c13-8-2-1-3-9-10(8)12(17-11(16)15-9)4-6-14-7-5-12/h1-3,14H,4-7H2,(H,15,16)
InChIKeyJTUXELXAXPZWHT-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.48
Rot. Bonds

About 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one

5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (PubChem CID 117103622) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
PubChem CID117103622
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2cccc(Cl)c2C2(CCNCC2)O1
InChIInChI=1S/C12H13ClN2O2/c13-8-2-1-3-9-10(8)12(17-11(16)15-9)4-6-14-7-5-12/h1-3,14H,4-7H2,(H,15,16)
InChIKeyJTUXELXAXPZWHT-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
CID 170680221
CID 170680221
(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
CID 165133735
5-chloro-3-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 68753647
ethane;spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90737087
4-chloro-3,3-dimethyl-1H-indol-2-one
CID 53402598
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
8-chloro-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 83754411
4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 19814300
3-(2,6-dichlorophenyl)-3-fluoroazetidine
CID 166534513
N-(2,6-dichlorophenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65469174
1'-propan-2-ylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 21303276

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The IUPAC name of 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one (CID 117103622) is 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is O=C1Nc2cccc(Cl)c2C2(CCNCC2)O1.
What is the InChIKey of 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
The InChIKey is JTUXELXAXPZWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-8-2-1-3-9-10(8)12(17-11(16)15-9)4-6-14-7-5-12/h1-3,14H,4-7H2,(H,15,16).
What are the key properties of 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one?
5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 117103622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).