1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol

C15H21NO — CID 62977841

IUPAC1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CC2(O)CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)10-15(17)8-9-16(11-15)14-6-7-14/h2-5,14,17H,6-11H2,1H3
InChIKeyXIQILBWPPRCASZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.14
Rot. Bonds3

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

1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 62977841) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID62977841
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CC2(O)CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)10-15(17)8-9-16(11-15)14-6-7-14/h2-5,14,17H,6-11H2,1H3
InChIKeyXIQILBWPPRCASZ-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol (CID 62977841) is 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol is Cc1ccc(CC2(O)CCN(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is XIQILBWPPRCASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-2-4-13(5-3-12)10-15(17)8-9-16(11-15)14-6-7-14/h2-5,14,17H,6-11H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(4-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62977841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).