(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile

C19H12N6O2 — CID 1415921

IUPAC(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N
InChIInChI=1S/C19H12N6O2/c20-10-16-18(23)24(14-6-2-1-3-7-14)17(19(16,11-21)12-22)13-5-4-8-15(9-13)25(26)27/h1-9,17H,23H2/t17-/m1/s1
InChIKeyRSKVNGROIVCQOQ-QGZVFWFLSA-N
MW356.35 g/mol
LogP2.88
Rot. Bonds3

About (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile

(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile (PubChem CID 1415921) has the molecular formula C19H12N6O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile.

Molecular Properties

Compound Name(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
PubChem CID1415921
Molecular FormulaC19H12N6O2
Molecular Weight356.35 g/mol
Exact Mass356.10
IUPAC Name(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N
InChIInChI=1S/C19H12N6O2/c20-10-16-18(23)24(14-6-2-1-3-7-14)17(19(16,11-21)12-22)13-5-4-8-15(9-13)25(26)27/h1-9,17H,23H2/t17-/m1/s1
InChIKeyRSKVNGROIVCQOQ-QGZVFWFLSA-N
XLogP2.88
TPSA143.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The IUPAC name of (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile (CID 1415921) is (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile.
What is the SMILES notation for (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The canonical SMILES for (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile is N#CC1=C(N)N(c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C#N)C#N.
What is the InChIKey of (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
The InChIKey is RSKVNGROIVCQOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H12N6O2/c20-10-16-18(23)24(14-6-2-1-3-7-14)17(19(16,11-21)12-22)13-5-4-8-15(9-13)25(26)27/h1-9,17H,23H2/t17-/m1/s1.
What are the key properties of (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile?
(2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile has a molecular weight of 356.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(3-nitrophenyl)-1-phenyl-2H-pyrrole-3,3,4-tricarbonitrile is sourced from PubChem (CID 1415921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).