1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine

C17H25NO — CID 2298092

IUPAC1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine
SMILESC=CCc1cccc(C)c1OCCCN1CCCC1
InChIInChI=1S/C17H25NO/c1-3-8-16-10-6-9-15(2)17(16)19-14-7-13-18-11-4-5-12-18/h3,6,9-10H,1,4-5,7-8,11-14H2,2H3
InChIKeyBTZGJWJZWXYPQD-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine

1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine (PubChem CID 2298092) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine
PubChem CID2298092
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine
SMILESC=CCc1cccc(C)c1OCCCN1CCCC1
InChIInChI=1S/C17H25NO/c1-3-8-16-10-6-9-15(2)17(16)19-14-7-13-18-11-4-5-12-18/h3,6,9-10H,1,4-5,7-8,11-14H2,2H3
InChIKeyBTZGJWJZWXYPQD-UHFFFAOYSA-N
XLogP3.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine (CID 2298092) is 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine is C=CCc1cccc(C)c1OCCCN1CCCC1.
What is the InChIKey of 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine?
The InChIKey is BTZGJWJZWXYPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-8-16-10-6-9-15(2)17(16)19-14-7-13-18-11-4-5-12-18/h3,6,9-10H,1,4-5,7-8,11-14H2,2H3.
What are the key properties of 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine?
1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine has a molecular weight of 259.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 2298092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).