1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one

C16H22N2O — CID 142841825

IUPAC1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCNCC2)C2=C1C=CC(C)C=C2
InChIInChI=1S/C16H22N2O/c1-3-18-14-7-5-12(2)4-6-13(14)16(15(18)19)8-10-17-11-9-16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyCRBALBSLIBVPLH-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.23
Rot. Bonds1

About 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one

1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one (PubChem CID 142841825) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one
PubChem CID142841825
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCNCC2)C2=C1C=CC(C)C=C2
InChIInChI=1S/C16H22N2O/c1-3-18-14-7-5-12(2)4-6-13(14)16(15(18)19)8-10-17-11-9-16/h4-7,12,17H,3,8-11H2,1-2H3
InChIKeyCRBALBSLIBVPLH-UHFFFAOYSA-N
XLogP2.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one (CID 142841825) is 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCNCC2)C2=C1C=CC(C)C=C2.
What is the InChIKey of 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one?
The InChIKey is CRBALBSLIBVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-18-14-7-5-12(2)4-6-13(14)16(15(18)19)8-10-17-11-9-16/h4-7,12,17H,3,8-11H2,1-2H3.
What are the key properties of 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one?
1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methylspiro[6H-cyclohepta[b]pyrrole-3,4'-piperidine]-2-one is sourced from PubChem (CID 142841825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).