1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine

C23H23N3O3 — CID 23938920

IUPAC1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/N=C/C2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H23N3O3/c27-26(28)22-8-4-7-21(16-22)24-17-20-10-9-19(15-18-5-2-1-3-6-18)23(20)25-11-13-29-14-12-25/h1-8,15-17H,9-14H2/b19-15?,24-17+
InChIKeyBXLOLZOYCGHBTQ-FFVKXLLISA-N
MW389.46 g/mol
LogP4.76
Rot. Bonds5

About 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine (PubChem CID 23938920) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
PubChem CID23938920
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/N=C/C2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H23N3O3/c27-26(28)22-8-4-7-21(16-22)24-17-20-10-9-19(15-18-5-2-1-3-6-18)23(20)25-11-13-29-14-12-25/h1-8,15-17H,9-14H2/b19-15?,24-17+
InChIKeyBXLOLZOYCGHBTQ-FFVKXLLISA-N
XLogP4.76
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.76
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

1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-[(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]methanimine
CID 4829730
(3Z)-3-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazinylidene]-1H-indol-2-one
CID 135576641
(3Z)-3-[(Z)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylidenehydrazinylidene]-5-nitro-1H-indol-2-one
CID 136747958
2-methyl-N-[(E)-[(3E)-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]methylideneamino]furan-3-carboxamide
CID 6901099
2-(1,3-benzothiazol-2-yl)-3-[2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enenitrile
CID 4641722
4-[(6E)-6-[(3-nitrophenyl)methylidene]cyclohexen-1-yl]morpholine
CID 82022973
N-[(E)-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylideneamino]-2-bromobenzamide
CID 6899054
1-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-3-phenylthiourea
CID 7041326
N-[(Z)-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883664
1-morpholin-4-yl-2-[4-[(3-nitrophenyl)iminomethyl]phenoxy]ethanone
CID 126243299
2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopenten-1-yl]prop-2-enamide
CID 3582045
(3Z)-3-[(4-chlorophenyl)methylidene]-2-morpholin-4-ylcyclopentene-1-carbaldehyde
CID 2322917

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine?
The IUPAC name of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine (CID 23938920) is 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine.
What is the SMILES notation for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine?
The canonical SMILES for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/N=C/C2=C(N3CCOCC3)C(=Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine?
The InChIKey is BXLOLZOYCGHBTQ-FFVKXLLISA-N. The full InChI is InChI=1S/C23H23N3O3/c27-26(28)22-8-4-7-21(16-22)24-17-20-10-9-19(15-18-5-2-1-3-6-18)23(20)25-11-13-29-14-12-25/h1-8,15-17H,9-14H2/b19-15?,24-17+.
What are the key properties of 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine?
1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine has a molecular weight of 389.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl)-N-(3-nitrophenyl)methanimine is sourced from PubChem (CID 23938920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).