4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole

C20H20N2 — CID 160825780

IUPAC4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C20H20N2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-20(22-14-18)19-7-4-12-21-19/h1-3,5-6,8-11,14,19,21H,4,7,12-13H2/t19-/m0/s1
InChIKeySGDIXALBZWMSJA-IBGZPJMESA-N
MW288.39 g/mol
LogP4.29
Rot. Bonds3

About 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole

4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (PubChem CID 160825780) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.

Molecular Properties

Compound Name4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
PubChem CID160825780
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)CC([C@@H]2CCCN2)=N1
InChIInChI=1S/C20H20N2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-20(22-14-18)19-7-4-12-21-19/h1-3,5-6,8-11,14,19,21H,4,7,12-13H2/t19-/m0/s1
InChIKeySGDIXALBZWMSJA-IBGZPJMESA-N
XLogP4.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The IUPAC name of 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole (CID 160825780) is 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole.
What is the SMILES notation for 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The canonical SMILES for 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is C1=C(c2ccc(-c3ccccc3)cc2)CC([C@@H]2CCCN2)=N1.
What is the InChIKey of 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
The InChIKey is SGDIXALBZWMSJA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2/c1-2-5-15(6-3-1)16-8-10-17(11-9-16)18-13-20(22-14-18)19-7-4-12-21-19/h1-3,5-6,8-11,14,19,21H,4,7,12-13H2/t19-/m0/s1.
What are the key properties of 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole?
4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole has a molecular weight of 288.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)-2-[(2S)-pyrrolidin-2-yl]-3H-pyrrole is sourced from PubChem (CID 160825780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).