(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine

C18H19N — CID 143719660

IUPAC(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
SMILESC=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H19N/c1-14-7-12-18(19-14)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11,18-19H,1,7,12-13H2/t18-/m0/s1
InChIKeyIDIYQGGDQXZSLU-SFHVURJKSA-N
MW249.36 g/mol
LogP4.16
Rot. Bonds3

About (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine

(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine (PubChem CID 143719660) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
PubChem CID143719660
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
SMILESC=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C18H19N/c1-14-7-12-18(19-14)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11,18-19H,1,7,12-13H2/t18-/m0/s1
InChIKeyIDIYQGGDQXZSLU-SFHVURJKSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine (CID 143719660) is (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine is C=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The InChIKey is IDIYQGGDQXZSLU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N/c1-14-7-12-18(19-14)13-15-8-10-17(11-9-15)16-5-3-2-4-6-16/h2-6,8-11,18-19H,1,7,12-13H2/t18-/m0/s1.
What are the key properties of (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine has a molecular weight of 249.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 143719660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).