1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol

C16H19N3O2 — CID 57076375

IUPAC1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
SMILESOc1[nH]c(O)c2c1CNC21CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c20-14-12-10-17-16(13(12)15(21)18-14)6-8-19(9-7-16)11-4-2-1-3-5-11/h1-5,17-18,20-21H,6-10H2
InChIKeyCBZUOPMBDODSLQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.02
Rot. Bonds1

About 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol

1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol (PubChem CID 57076375) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol.

Molecular Properties

Compound Name1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
PubChem CID57076375
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol
SMILESOc1[nH]c(O)c2c1CNC21CCN(c2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c20-14-12-10-17-16(13(12)15(21)18-14)6-8-19(9-7-16)11-4-2-1-3-5-11/h1-5,17-18,20-21H,6-10H2
InChIKeyCBZUOPMBDODSLQ-UHFFFAOYSA-N
XLogP2.02
TPSA71.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The IUPAC name of 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol (CID 57076375) is 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol.
What is the SMILES notation for 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The canonical SMILES for 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol is Oc1[nH]c(O)c2c1CNC21CCN(c2ccccc2)CC1.
What is the InChIKey of 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
The InChIKey is CBZUOPMBDODSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-14-12-10-17-16(13(12)15(21)18-14)6-8-19(9-7-16)11-4-2-1-3-5-11/h1-5,17-18,20-21H,6-10H2.
What are the key properties of 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol?
1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol has a molecular weight of 285.35 g/mol, XLogP of 2.02, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-phenylspiro[2,5-dihydro-1H-pyrrolo[3,4-c]pyrrole-3,4'-piperidine]-4,6-diol is sourced from PubChem (CID 57076375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).