1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine

C20H21N — CID 143834432

IUPAC1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
SMILESC=C1CC(Cc2ccc(-c3ccccc3)cc2)N(C)C1=C
InChIInChI=1S/C20H21N/c1-15-13-20(21(3)16(15)2)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,1-2,13-14H2,3H3
InChIKeyLLSIFANSANLCTQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.67
Rot. Bonds3

About 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine

1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine (PubChem CID 143834432) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
PubChem CID143834432
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC Name1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
SMILESC=C1CC(Cc2ccc(-c3ccccc3)cc2)N(C)C1=C
InChIInChI=1S/C20H21N/c1-15-13-20(21(3)16(15)2)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,1-2,13-14H2,3H3
InChIKeyLLSIFANSANLCTQ-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The IUPAC name of 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine (CID 143834432) is 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The canonical SMILES for 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine is C=C1CC(Cc2ccc(-c3ccccc3)cc2)N(C)C1=C.
What is the InChIKey of 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
The InChIKey is LLSIFANSANLCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-15-13-20(21(3)16(15)2)14-17-9-11-19(12-10-17)18-7-5-4-6-8-18/h4-12,20H,1-2,13-14H2,3H3.
What are the key properties of 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine?
1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine has a molecular weight of 275.39 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dimethylidene-5-[(4-phenylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 143834432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).