6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol

C15H21NO2 — CID 91401573

IUPAC6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol
SMILESCC1(C)C=CC2=C(C=C1)C1(CCNCC1O)CO2
InChIInChI=1S/C15H21NO2/c1-14(2)5-3-11-12(4-6-14)18-10-15(11)7-8-16-9-13(15)17/h3-6,13,16-17H,7-10H2,1-2H3
InChIKeyGGQRKSGDSULVOA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.76
Rot. Bonds

About 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol

6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol (PubChem CID 91401573) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol.

Molecular Properties

Compound Name6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol
PubChem CID91401573
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol
SMILESCC1(C)C=CC2=C(C=C1)C1(CCNCC1O)CO2
InChIInChI=1S/C15H21NO2/c1-14(2)5-3-11-12(4-6-14)18-10-15(11)7-8-16-9-13(15)17/h3-6,13,16-17H,7-10H2,1-2H3
InChIKeyGGQRKSGDSULVOA-UHFFFAOYSA-N
XLogP1.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol?
The IUPAC name of 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol (CID 91401573) is 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol.
What is the SMILES notation for 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol?
The canonical SMILES for 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol is CC1(C)C=CC2=C(C=C1)C1(CCNCC1O)CO2.
What is the InChIKey of 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol?
The InChIKey is GGQRKSGDSULVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2)5-3-11-12(4-6-14)18-10-15(11)7-8-16-9-13(15)17/h3-6,13,16-17H,7-10H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol?
6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol has a molecular weight of 247.34 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]-3'-ol is sourced from PubChem (CID 91401573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).