6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]

C16H21NO — CID 143803956

IUPAC6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]
SMILESC=CC1(C)C=CC2=C(C=C1)C1(CCNCC1)CO2
InChIInChI=1S/C16H21NO/c1-3-15(2)6-4-13-14(5-7-15)18-12-16(13)8-10-17-11-9-16/h3-7,17H,1,8-12H2,2H3
InChIKeyIPCRWRRHOIFVBI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.96
Rot. Bonds1

About 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]

6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine] (PubChem CID 143803956) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine].

Molecular Properties

Compound Name6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]
PubChem CID143803956
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]
SMILESC=CC1(C)C=CC2=C(C=C1)C1(CCNCC1)CO2
InChIInChI=1S/C16H21NO/c1-3-15(2)6-4-13-14(5-7-15)18-12-16(13)8-10-17-11-9-16/h3-7,17H,1,8-12H2,2H3
InChIKeyIPCRWRRHOIFVBI-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]?
The IUPAC name of 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine] (CID 143803956) is 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine].
What is the SMILES notation for 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]?
The canonical SMILES for 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine] is C=CC1(C)C=CC2=C(C=C1)C1(CCNCC1)CO2.
What is the InChIKey of 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]?
The InChIKey is IPCRWRRHOIFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-3-15(2)6-4-13-14(5-7-15)18-12-16(13)8-10-17-11-9-16/h3-7,17H,1,8-12H2,2H3.
What are the key properties of 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine]?
6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine] has a molecular weight of 243.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-methylspiro[2H-cyclohepta[b]furan-3,4'-piperidine] is sourced from PubChem (CID 143803956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).