4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine

C14H20N2O3S — CID 76948806

IUPAC4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine
SMILESCC(C)CC(=Cc1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3S/c1-11(2)9-12(16(17)18)10-13-3-4-14(20-13)15-5-7-19-8-6-15/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNWVMRRICWMPBOH-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.25
Rot. Bonds5

About 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine

4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine (PubChem CID 76948806) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine
PubChem CID76948806
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine
SMILESCC(C)CC(=Cc1ccc(N2CCOCC2)s1)[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3S/c1-11(2)9-12(16(17)18)10-13-3-4-14(20-13)15-5-7-19-8-6-15/h3-4,10-11H,5-9H2,1-2H3
InChIKeyNWVMRRICWMPBOH-UHFFFAOYSA-N
XLogP3.25
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.25
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-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine?
The IUPAC name of 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine (CID 76948806) is 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine is CC(C)CC(=Cc1ccc(N2CCOCC2)s1)[N+](=O)[O-].
What is the InChIKey of 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine?
The InChIKey is NWVMRRICWMPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11(2)9-12(16(17)18)10-13-3-4-14(20-13)15-5-7-19-8-6-15/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine?
4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine has a molecular weight of 296.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-2-nitropent-1-enyl)thiophen-2-yl]morpholine is sourced from PubChem (CID 76948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).