(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol

C17H25NO — CID 59019831

IUPAC(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
SMILESCc1ccc(C2(CCN3CC[C@H](O)C3)CCC2)cc1
InChIInChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(8-2-9-17)10-12-18-11-7-16(19)13-18/h3-6,16,19H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyJLAKMLZILFKZFH-INIZCTEOSA-N
MW259.39 g/mol
LogP2.87
Rot. Bonds4

About (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol

(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol (PubChem CID 59019831) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
PubChem CID59019831
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol
SMILESCc1ccc(C2(CCN3CC[C@H](O)C3)CCC2)cc1
InChIInChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(8-2-9-17)10-12-18-11-7-16(19)13-18/h3-6,16,19H,2,7-13H2,1H3/t16-/m0/s1
InChIKeyJLAKMLZILFKZFH-INIZCTEOSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol (CID 59019831) is (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol is Cc1ccc(C2(CCN3CC[C@H](O)C3)CCC2)cc1.
What is the InChIKey of (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?
The InChIKey is JLAKMLZILFKZFH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25NO/c1-14-3-5-15(6-4-14)17(8-2-9-17)10-12-18-11-7-16(19)13-18/h3-6,16,19H,2,7-13H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol?
(3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol has a molecular weight of 259.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[1-(4-methylphenyl)cyclobutyl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 59019831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).