1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine

C14H23NO2 — CID 142460684

IUPAC1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine
SMILESCOC1=CCCC=C1OCCCN1CCCC1
InChIInChI=1S/C14H23NO2/c1-16-13-7-2-3-8-14(13)17-12-6-11-15-9-4-5-10-15/h7-8H,2-6,9-12H2,1H3
InChIKeyBQZDYTDLAZHJMH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.70
Rot. Bonds6

About 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine

1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine (PubChem CID 142460684) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine
PubChem CID142460684
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine
SMILESCOC1=CCCC=C1OCCCN1CCCC1
InChIInChI=1S/C14H23NO2/c1-16-13-7-2-3-8-14(13)17-12-6-11-15-9-4-5-10-15/h7-8H,2-6,9-12H2,1H3
InChIKeyBQZDYTDLAZHJMH-UHFFFAOYSA-N
XLogP2.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine?
The IUPAC name of 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine (CID 142460684) is 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine.
What is the SMILES notation for 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine?
The canonical SMILES for 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine is COC1=CCCC=C1OCCCN1CCCC1.
What is the InChIKey of 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine?
The InChIKey is BQZDYTDLAZHJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-16-13-7-2-3-8-14(13)17-12-6-11-15-9-4-5-10-15/h7-8H,2-6,9-12H2,1H3.
What are the key properties of 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine?
1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine has a molecular weight of 237.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxycyclohexa-1,5-dien-1-yl)oxypropyl]pyrrolidine is sourced from PubChem (CID 142460684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).