ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine

C16H25NO — CID 143482045

IUPACethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(C)cc1)N1CCC(OC)C1.CC
InChIInChI=1S/C14H19NO.C2H6/c1-11-4-6-13(7-5-11)12(2)15-9-8-14(10-15)16-3;1-2/h4-7,14H,2,8-10H2,1,3H3;1-2H3
InChIKeyJLVRQWUUQNAWEU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds3

About ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine

ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine (PubChem CID 143482045) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine.

Molecular Properties

Compound Nameethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine
PubChem CID143482045
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Nameethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine
SMILESC=C(c1ccc(C)cc1)N1CCC(OC)C1.CC
InChIInChI=1S/C14H19NO.C2H6/c1-11-4-6-13(7-5-11)12(2)15-9-8-14(10-15)16-3;1-2/h4-7,14H,2,8-10H2,1,3H3;1-2H3
InChIKeyJLVRQWUUQNAWEU-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine?
The IUPAC name of ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine (CID 143482045) is ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine.
What is the SMILES notation for ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine?
The canonical SMILES for ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine is C=C(c1ccc(C)cc1)N1CCC(OC)C1.CC.
What is the InChIKey of ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine?
The InChIKey is JLVRQWUUQNAWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C2H6/c1-11-4-6-13(7-5-11)12(2)15-9-8-14(10-15)16-3;1-2/h4-7,14H,2,8-10H2,1,3H3;1-2H3.
What are the key properties of ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine?
ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-1-[1-(4-methylphenyl)ethenyl]pyrrolidine is sourced from PubChem (CID 143482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).