N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine

C23H19N3O3 — CID 4529468

IUPACN-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1
InChIInChI=1S/C23H19N3O3/c27-26(28)21-13-16(7-10-20(21)25-11-3-4-12-25)15-24-17-8-9-19-18-5-1-2-6-22(18)29-23(19)14-17/h1-2,5-10,13-15H,3-4,11-12H2/b24-15+
InChIKeyHLUHVHMVNZDWIL-BUVRLJJBSA-N
MW385.42 g/mol
LogP5.84
Rot. Bonds4

About N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine

N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine (PubChem CID 4529468) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine
PubChem CID4529468
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1
InChIInChI=1S/C23H19N3O3/c27-26(28)21-13-16(7-10-20(21)25-11-3-4-12-25)15-24-17-8-9-19-18-5-1-2-6-22(18)29-23(19)14-17/h1-2,5-10,13-15H,3-4,11-12H2/b24-15+
InChIKeyHLUHVHMVNZDWIL-BUVRLJJBSA-N
XLogP5.84
TPSA71.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

4-(dibenzofuran-3-yliminomethyl)-2-nitrophenolate
CID 7104549
5-[[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]methylideneamino]-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 124530191
1-[4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-N-dibenzofuran-3-ylmethanimine
CID 124529992
1-(3-nitro-4-pyrrolidin-1-ylphenyl)-N-(4-octoxyphenyl)methanimine
CID 3626719
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(3-nitro-4-piperidin-1-ylphenyl)methanimine
CID 3618069
N-[(Z)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-2-carboxamide
CID 5347393
(E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170876700
1-(4-nitrophenyl)-N-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanimine
CID 94849726
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(5-nitrofuran-2-yl)methanimine
CID 4576176
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylideneamino]-N,N-dimethyl-2-piperidin-1-ylbenzenesulfonamide
CID 124530190
4-methyl-1-[(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]imidazol-2-amine
CID 168630983

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine?
The IUPAC name of N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine (CID 4529468) is N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine?
The canonical SMILES for N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine is O=[N+]([O-])c1cc(/C=N/c2ccc3c(c2)oc2ccccc23)ccc1N1CCCC1.
What is the InChIKey of N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine?
The InChIKey is HLUHVHMVNZDWIL-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-26(28)21-13-16(7-10-20(21)25-11-3-4-12-25)15-24-17-8-9-19-18-5-1-2-6-22(18)29-23(19)14-17/h1-2,5-10,13-15H,3-4,11-12H2/b24-15+.
What are the key properties of N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine?
N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine has a molecular weight of 385.42 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-1-(3-nitro-4-pyrrolidin-1-ylphenyl)methanimine is sourced from PubChem (CID 4529468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).