(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine

C14H17NO — CID 143158377

IUPAC(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine
SMILESCC1C[C@@H](OCC#Cc2ccccc2)CN1
InChIInChI=1S/C14H17NO/c1-12-10-14(11-15-12)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,9-11H2,1H3/t12?,14-/m1/s1
InChIKeyRZHWNSTUOXXEAN-TYZXPVIJSA-N
MW215.30 g/mol
LogP1.81
Rot. Bonds2

About (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine

(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine (PubChem CID 143158377) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine.

Molecular Properties

Compound Name(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine
PubChem CID143158377
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine
SMILESCC1C[C@@H](OCC#Cc2ccccc2)CN1
InChIInChI=1S/C14H17NO/c1-12-10-14(11-15-12)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,9-11H2,1H3/t12?,14-/m1/s1
InChIKeyRZHWNSTUOXXEAN-TYZXPVIJSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine?
The IUPAC name of (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine (CID 143158377) is (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine.
What is the SMILES notation for (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine?
The canonical SMILES for (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine is CC1C[C@@H](OCC#Cc2ccccc2)CN1.
What is the InChIKey of (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine?
The InChIKey is RZHWNSTUOXXEAN-TYZXPVIJSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-10-14(11-15-12)16-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,9-11H2,1H3/t12?,14-/m1/s1.
What are the key properties of (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine?
(4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine has a molecular weight of 215.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-(3-phenylprop-2-ynoxy)pyrrolidine is sourced from PubChem (CID 143158377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).