1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one

C14H19NO — CID 82113955

IUPAC1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)c(N2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-3-14(16)12-7-6-11(2)13(10-12)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyBGBLNGNWSJYWRO-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.19
Rot. Bonds3

About 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one

1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one (PubChem CID 82113955) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
PubChem CID82113955
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
SMILESCCC(=O)c1ccc(C)c(N2CCCC2)c1
InChIInChI=1S/C14H19NO/c1-3-14(16)12-7-6-11(2)13(10-12)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyBGBLNGNWSJYWRO-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The IUPAC name of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one (CID 82113955) is 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The canonical SMILES for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one is CCC(=O)c1ccc(C)c(N2CCCC2)c1.
What is the InChIKey of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
The InChIKey is BGBLNGNWSJYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-3-14(16)12-7-6-11(2)13(10-12)15-8-4-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one?
1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one has a molecular weight of 217.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one is sourced from PubChem (CID 82113955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).