1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone

C17H23NO — CID 59019691

IUPAC1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(C2(C(=O)CN3CCCC3)CCC2)cc1
InChIInChI=1S/C17H23NO/c1-14-5-7-15(8-6-14)17(9-4-10-17)16(19)13-18-11-2-3-12-18/h5-8H,2-4,9-13H2,1H3
InChIKeyCNSCIOAADOTRSJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.08
Rot. Bonds4

About 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone

1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone (PubChem CID 59019691) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
PubChem CID59019691
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone
SMILESCc1ccc(C2(C(=O)CN3CCCC3)CCC2)cc1
InChIInChI=1S/C17H23NO/c1-14-5-7-15(8-6-14)17(9-4-10-17)16(19)13-18-11-2-3-12-18/h5-8H,2-4,9-13H2,1H3
InChIKeyCNSCIOAADOTRSJ-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone (CID 59019691) is 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone is Cc1ccc(C2(C(=O)CN3CCCC3)CCC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone?
The InChIKey is CNSCIOAADOTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-14-5-7-15(8-6-14)17(9-4-10-17)16(19)13-18-11-2-3-12-18/h5-8H,2-4,9-13H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone?
1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone has a molecular weight of 257.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)cyclobutyl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 59019691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).