4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine

C15H18N2O3S — CID 4109936

IUPAC4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine
SMILESO=[N+]([O-])c1ccc(C=C2CCCC=C2N2CCOCC2)s1
InChIInChI=1S/C15H18N2O3S/c18-17(19)15-6-5-13(21-15)11-12-3-1-2-4-14(12)16-7-9-20-10-8-16/h4-6,11H,1-3,7-10H2
InChIKeyOURXGHZJIMISBC-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.44
Rot. Bonds3

About 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine

4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine (PubChem CID 4109936) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine
PubChem CID4109936
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine
SMILESO=[N+]([O-])c1ccc(C=C2CCCC=C2N2CCOCC2)s1
InChIInChI=1S/C15H18N2O3S/c18-17(19)15-6-5-13(21-15)11-12-3-1-2-4-14(12)16-7-9-20-10-8-16/h4-6,11H,1-3,7-10H2
InChIKeyOURXGHZJIMISBC-UHFFFAOYSA-N
XLogP3.44
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine?
The IUPAC name of 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine (CID 4109936) is 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine.
What is the SMILES notation for 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine?
The canonical SMILES for 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine is O=[N+]([O-])c1ccc(C=C2CCCC=C2N2CCOCC2)s1.
What is the InChIKey of 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine?
The InChIKey is OURXGHZJIMISBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-17(19)15-6-5-13(21-15)11-12-3-1-2-4-14(12)16-7-9-20-10-8-16/h4-6,11H,1-3,7-10H2.
What are the key properties of 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine?
4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine has a molecular weight of 306.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(5-nitrothiophen-2-yl)methylidene]cyclohexen-1-yl]morpholine is sourced from PubChem (CID 4109936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).