1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine

C16H23NO2 — CID 129296018

IUPAC1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
SMILESC1=CC(CCCN2CCCC2)C=C2OCCOC2=C1
InChIInChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h3,5,7,13-14H,1-2,4,6,8-12H2
InChIKeyOIJURCCHHQDRSF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine

1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine (PubChem CID 129296018) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
PubChem CID129296018
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
SMILESC1=CC(CCCN2CCCC2)C=C2OCCOC2=C1
InChIInChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h3,5,7,13-14H,1-2,4,6,8-12H2
InChIKeyOIJURCCHHQDRSF-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
1-[3-(7-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91497755
1-[3-(2,3,6,7-Tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91504500
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
CID 129295823
1-[(4Z)-4-[(E)-2-ethoxy-3-methoxyprop-1-enyl]-2-methylhepta-4,6-dienyl]piperidine
CID 129295937
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
CID 135225329
1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine
CID 135225364
1-[3-(2,3,7,8-Tetrahydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 143270008
1-[3-(3,8-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
CID 143934864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine (CID 129296018) is 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine is C1=CC(CCCN2CCCC2)C=C2OCCOC2=C1.
What is the InChIKey of 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
The InChIKey is OIJURCCHHQDRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-9-17(8-1)10-4-6-14-5-3-7-15-16(13-14)19-12-11-18-15/h3,5,7,13-14H,1-2,4,6,8-12H2.
What are the key properties of 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine?
1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine has a molecular weight of 261.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 129296018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).