4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine

C21H24N2O3 — CID 2315003

IUPAC4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-23(25)19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)22-11-13-26-14-12-22/h3,5-6,8-9,15H,1-2,4,7,10-14H2/b18-15+
InChIKeyZZHULVBSKSJBCJ-OBGWFSINSA-N
MW352.43 g/mol
LogP4.47
Rot. Bonds4

About 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine

4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine (PubChem CID 2315003) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine.

Molecular Properties

Compound Name4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine
PubChem CID2315003
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine
SMILESO=[N+]([O-])c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3/c24-23(25)19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)22-11-13-26-14-12-22/h3,5-6,8-9,15H,1-2,4,7,10-14H2/b18-15+
InChIKeyZZHULVBSKSJBCJ-OBGWFSINSA-N
XLogP4.47
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine?
The IUPAC name of 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine (CID 2315003) is 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine.
What is the SMILES notation for 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine?
The canonical SMILES for 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine is O=[N+]([O-])c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1.
What is the InChIKey of 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine?
The InChIKey is ZZHULVBSKSJBCJ-OBGWFSINSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-23(25)19-8-5-16(6-9-19)15-18-7-10-20(17-3-1-2-4-17)21(18)22-11-13-26-14-12-22/h3,5-6,8-9,15H,1-2,4,7,10-14H2/b18-15+.
What are the key properties of 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine?
4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine has a molecular weight of 352.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5E)-2-(cyclopenten-1-yl)-5-[(4-nitrophenyl)methylidene]cyclopenten-1-yl]morpholine is sourced from PubChem (CID 2315003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).