7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one

C12H13NO3 — CID 84684567

IUPAC7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCNC2)c2cccc(O)c21
InChIInChI=1S/C12H13NO3/c14-9-4-1-3-8-10(9)11(15)16-12(8)5-2-6-13-7-12/h1,3-4,13-14H,2,5-7H2
InChIKeyRMDPSPLQMRIRFZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds

About 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one

7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 84684567) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID84684567
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCNC2)c2cccc(O)c21
InChIInChI=1S/C12H13NO3/c14-9-4-1-3-8-10(9)11(15)16-12(8)5-2-6-13-7-12/h1,3-4,13-14H,2,5-7H2
InChIKeyRMDPSPLQMRIRFZ-UHFFFAOYSA-N
XLogP1.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103664
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84715163
7-[1-(4-bromophenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91055608
(3R)-7-(4-phenoxybenzoyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91311461
7-[1-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 91368224
7-(piperidine-1-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 90952953
1'-(4-amino-2-pyridinyl)-7-hydroxyspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 143462326
(3R)-7-[2-(4-bromo-2-fluorophenyl)-2-hydroxybutanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 90826001
spiro[1H-indole-3,3'-piperidine]-2-one;hydrochloride
CID 23500737
6,7-dimethylspiro[2-benzofuran-3,4'-piperidine]-1-one
CID 91492916
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one (CID 84684567) is 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCNC2)c2cccc(O)c21.
What is the InChIKey of 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is RMDPSPLQMRIRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-9-4-1-3-8-10(9)11(15)16-12(8)5-2-6-13-7-12/h1,3-4,13-14H,2,5-7H2.
What are the key properties of 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one?
7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 219.24 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 84684567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).