1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

C16H25NO2 — CID 91497755

IUPAC1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
SMILESCC1C=C2OCCOC2=CC1CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-13-11-15-16(19-10-9-18-15)12-14(13)5-4-8-17-6-2-3-7-17/h11-14H,2-10H2,1H3
InChIKeyGPHKDFWNHURVSO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.94
Rot. Bonds4

About 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine

1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (PubChem CID 91497755) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
PubChem CID91497755
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
SMILESCC1C=C2OCCOC2=CC1CCCN1CCCC1
InChIInChI=1S/C16H25NO2/c1-13-11-15-16(19-10-9-18-15)12-14(13)5-4-8-17-6-2-3-7-17/h11-14H,2-10H2,1H3
InChIKeyGPHKDFWNHURVSO-UHFFFAOYSA-N
XLogP2.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The IUPAC name of 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine (CID 91497755) is 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is CC1C=C2OCCOC2=CC1CCCN1CCCC1.
What is the InChIKey of 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
The InChIKey is GPHKDFWNHURVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-11-15-16(19-10-9-18-15)12-14(13)5-4-8-17-6-2-3-7-17/h11-14H,2-10H2,1H3.
What are the key properties of 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine?
1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine is sourced from PubChem (CID 91497755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).