1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine

C16H23NO2 — CID 129295823

IUPAC1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
SMILESC1=CC2OCCOC2=CC=C1CCCN1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-10-17(9-1)11-3-4-14-5-7-15-16(8-6-14)19-13-12-18-15/h5-8,15H,1-4,9-13H2
InChIKeyGPCDOXKXOZQBEV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.66
Rot. Bonds4

About 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine

1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine (PubChem CID 129295823) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
PubChem CID129295823
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
SMILESC1=CC2OCCOC2=CC=C1CCCN1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-10-17(9-1)11-3-4-14-5-7-15-16(8-6-14)19-13-12-18-15/h5-8,15H,1-4,9-13H2
InChIKeyGPCDOXKXOZQBEV-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine (CID 129295823) is 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine is C1=CC2OCCOC2=CC=C1CCCN1CCCC1.
What is the InChIKey of 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine?
The InChIKey is GPCDOXKXOZQBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-10-17(9-1)11-3-4-14-5-7-15-16(8-6-14)19-13-12-18-15/h5-8,15H,1-4,9-13H2.
What are the key properties of 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine?
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine is sourced from PubChem (CID 129295823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).