N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine

C22H17N3O2 — CID 3261031

IUPACN-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C22H17N3O2/c1-16-13-20(25(26)27)10-11-22(16)23-15-21-7-4-12-24(21)19-9-8-17-5-2-3-6-18(17)14-19/h2-15H,1H3/b23-15+
InChIKeyOPYGEPMTDOUVAY-HZHRSRAPSA-N
MW355.40 g/mol
LogP5.60
Rot. Bonds4

About N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine

N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine (PubChem CID 3261031) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine
PubChem CID3261031
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC NameN-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine
SMILESCc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc2ccccc2c1
InChIInChI=1S/C22H17N3O2/c1-16-13-20(25(26)27)10-11-22(16)23-15-21-7-4-12-24(21)19-9-8-17-5-2-3-6-18(17)14-19/h2-15H,1H3/b23-15+
InChIKeyOPYGEPMTDOUVAY-HZHRSRAPSA-N
XLogP5.60
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine (CID 3261031) is N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine is Cc1cc([N+](=O)[O-])ccc1/N=C/c1cccn1-c1ccc2ccccc2c1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine?
The InChIKey is OPYGEPMTDOUVAY-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-16-13-20(25(26)27)10-11-22(16)23-15-21-7-4-12-24(21)19-9-8-17-5-2-3-6-18(17)14-19/h2-15H,1H3/b23-15+.
What are the key properties of N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine?
N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine has a molecular weight of 355.40 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-1-(1-naphthalen-2-ylpyrrol-2-yl)methanimine is sourced from PubChem (CID 3261031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).