2-(4-cyclopropylphenyl)-3-methylpyrrolidine

C14H19N — CID 79977348

IUPAC2-(4-cyclopropylphenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1ccc(C2CC2)cc1
InChIInChI=1S/C14H19N/c1-10-8-9-15-14(10)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyBJGGMLMPQCEZRF-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-cyclopropylphenyl)-3-methylpyrrolidine

2-(4-cyclopropylphenyl)-3-methylpyrrolidine (PubChem CID 79977348) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-3-methylpyrrolidine
PubChem CID79977348
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(4-cyclopropylphenyl)-3-methylpyrrolidine
SMILESCC1CCNC1c1ccc(C2CC2)cc1
InChIInChI=1S/C14H19N/c1-10-8-9-15-14(10)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeyBJGGMLMPQCEZRF-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-3-methylpyrrolidine?
The IUPAC name of 2-(4-cyclopropylphenyl)-3-methylpyrrolidine (CID 79977348) is 2-(4-cyclopropylphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-3-methylpyrrolidine is CC1CCNC1c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-3-methylpyrrolidine?
The InChIKey is BJGGMLMPQCEZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-8-9-15-14(10)13-6-4-12(5-7-13)11-2-3-11/h4-7,10-11,14-15H,2-3,8-9H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-3-methylpyrrolidine?
2-(4-cyclopropylphenyl)-3-methylpyrrolidine has a molecular weight of 201.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 79977348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).