1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine

C16H25NO2 — CID 135225338

IUPAC1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine
SMILESC/C1=C\C=C(CCCN2CCCC2)/C=C/OCCO1
InChIInChI=1S/C16H25NO2/c1-15-6-7-16(8-12-18-13-14-19-15)5-4-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11,13-14H2,1H3/b12-8+,15-6+,16-7-
InChIKeyFYNZHAPAQLBZQH-OPOOEUNBSA-N
MW263.38 g/mol
LogP3.25
Rot. Bonds4

About 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine

1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine (PubChem CID 135225338) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine
PubChem CID135225338
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine
SMILESC/C1=C\C=C(CCCN2CCCC2)/C=C/OCCO1
InChIInChI=1S/C16H25NO2/c1-15-6-7-16(8-12-18-13-14-19-15)5-4-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11,13-14H2,1H3/b12-8+,15-6+,16-7-
InChIKeyFYNZHAPAQLBZQH-OPOOEUNBSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine?
The IUPAC name of 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine (CID 135225338) is 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine.
What is the SMILES notation for 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine?
The canonical SMILES for 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine is C/C1=C\C=C(CCCN2CCCC2)/C=C/OCCO1.
What is the InChIKey of 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine?
The InChIKey is FYNZHAPAQLBZQH-OPOOEUNBSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15-6-7-16(8-12-18-13-14-19-15)5-4-11-17-9-2-3-10-17/h6-8,12H,2-5,9-11,13-14H2,1H3/b12-8+,15-6+,16-7-.
What are the key properties of 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine?
1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine is sourced from PubChem (CID 135225338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).