6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]

C15H21NO — CID 142054642

IUPAC6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]
SMILESCC1(C)C=CC2=C(C=C1)C1(CCNCC1)OC2
InChIInChI=1S/C15H21NO/c1-14(2)5-3-12-11-17-15(13(12)4-6-14)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3
InChIKeyHCLPWLONWXSTRI-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.59
Rot. Bonds

About 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]

6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine] (PubChem CID 142054642) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine].

Molecular Properties

Compound Name6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]
PubChem CID142054642
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]
SMILESCC1(C)C=CC2=C(C=C1)C1(CCNCC1)OC2
InChIInChI=1S/C15H21NO/c1-14(2)5-3-12-11-17-15(13(12)4-6-14)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3
InChIKeyHCLPWLONWXSTRI-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]?
The IUPAC name of 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine] (CID 142054642) is 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine].
What is the SMILES notation for 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]?
The canonical SMILES for 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine] is CC1(C)C=CC2=C(C=C1)C1(CCNCC1)OC2.
What is the InChIKey of 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]?
The InChIKey is HCLPWLONWXSTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-14(2)5-3-12-11-17-15(13(12)4-6-14)7-9-16-10-8-15/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine]?
6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine] has a molecular weight of 231.34 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylspiro[1H-cyclohepta[c]furan-3,4'-piperidine] is sourced from PubChem (CID 142054642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).