6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]

C17H24N2O — CID 143074247

IUPAC6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]
SMILESC=CCN1CCC2(CC1)CNC1=CC=C(OC)CC=C12
InChIInChI=1S/C17H24N2O/c1-3-10-19-11-8-17(9-12-19)13-18-16-7-5-14(20-2)4-6-15(16)17/h3,5-7,18H,1,4,8-13H2,2H3
InChIKeyAPFZARQOXYUUIE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds3

About 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]

6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine] (PubChem CID 143074247) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]
PubChem CID143074247
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]
SMILESC=CCN1CCC2(CC1)CNC1=CC=C(OC)CC=C12
InChIInChI=1S/C17H24N2O/c1-3-10-19-11-8-17(9-12-19)13-18-16-7-5-14(20-2)4-6-15(16)17/h3,5-7,18H,1,4,8-13H2,2H3
InChIKeyAPFZARQOXYUUIE-UHFFFAOYSA-N
XLogP2.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine] (CID 143074247) is 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine] is C=CCN1CCC2(CC1)CNC1=CC=C(OC)CC=C12.
What is the InChIKey of 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]?
The InChIKey is APFZARQOXYUUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-10-19-11-8-17(9-12-19)13-18-16-7-5-14(20-2)4-6-15(16)17/h3,5-7,18H,1,4,8-13H2,2H3.
What are the key properties of 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine]?
6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine] has a molecular weight of 272.39 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-prop-2-enylspiro[2,5-dihydro-1H-cyclohepta[b]pyrrole-3,4'-piperidine] is sourced from PubChem (CID 143074247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).