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

C12H14N2O3 — CID 117103646

IUPAC5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
SMILESO=C1Nc2cccc(O)c2C2(CCCNC2)O1
InChIInChI=1S/C12H14N2O3/c15-9-4-1-3-8-10(9)12(17-11(16)14-8)5-2-6-13-7-12/h1,3-4,13,15H,2,5-7H2,(H,14,16)
InChIKeyPVEAQRYGFHUXHP-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.53
Rot. Bonds

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

5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one (PubChem CID 117103646) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one.

Molecular Properties

Compound Name5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
PubChem CID117103646
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
SMILESO=C1Nc2cccc(O)c2C2(CCCNC2)O1
InChIInChI=1S/C12H14N2O3/c15-9-4-1-3-8-10(9)12(17-11(16)14-8)5-2-6-13-7-12/h1,3-4,13,15H,2,5-7H2,(H,14,16)
InChIKeyPVEAQRYGFHUXHP-UHFFFAOYSA-N
XLogP1.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103664
5-chlorospiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 117103622
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84715163
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-8-ol
CID 115097893
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
CID 170680221
CID 170680221
(4R)-6-chloro-5-fluoro-3',3'-dimethylspiro[1H-3,1-benzoxazine-4,5'-piperidine]-2-one
CID 165133735
6-methylspiro[1H-thieno[3,2-d][1,3]oxazine-4,1'-cyclohexane]-2-one
CID 18731842
4-(2-hydroxyphenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 115067456
ethane;1'-methylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 176678113
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The IUPAC name of 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one (CID 117103646) is 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one.
What is the SMILES notation for 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The canonical SMILES for 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one is O=C1Nc2cccc(O)c2C2(CCCNC2)O1.
What is the InChIKey of 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The InChIKey is PVEAQRYGFHUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-9-4-1-3-8-10(9)12(17-11(16)14-8)5-2-6-13-7-12/h1,3-4,13,15H,2,5-7H2,(H,14,16).
What are the key properties of 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one has a molecular weight of 234.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one is sourced from PubChem (CID 117103646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).