1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol

C15H21NO — CID 59020003

IUPAC1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol
SMILESCc1ccc(C2(N3CCC(O)C3)CCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-3-5-13(6-4-12)15(8-2-9-15)16-10-7-14(17)11-16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyIFNASQLYVSVHGY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.44
Rot. Bonds2

About 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol

1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol (PubChem CID 59020003) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol
PubChem CID59020003
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol
SMILESCc1ccc(C2(N3CCC(O)C3)CCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-3-5-13(6-4-12)15(8-2-9-15)16-10-7-14(17)11-16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyIFNASQLYVSVHGY-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol?
The IUPAC name of 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol (CID 59020003) is 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol is Cc1ccc(C2(N3CCC(O)C3)CCC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol?
The InChIKey is IFNASQLYVSVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-3-5-13(6-4-12)15(8-2-9-15)16-10-7-14(17)11-16/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol?
1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)cyclobutyl]pyrrolidin-3-ol is sourced from PubChem (CID 59020003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).