1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol

C12H20N2O4 — CID 15094447

IUPAC1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol
SMILESCCC1(O)C(N2CCOCC2)=CC(C)C1[N+](=O)[O-]
InChIInChI=1S/C12H20N2O4/c1-3-12(15)10(13-4-6-18-7-5-13)8-9(2)11(12)14(16)17/h8-9,11,15H,3-7H2,1-2H3
InChIKeyAEXWFGDMFDNOHU-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.64
Rot. Bonds3

About 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol

1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol (PubChem CID 15094447) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol.

Molecular Properties

Compound Name1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol
PubChem CID15094447
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol
SMILESCCC1(O)C(N2CCOCC2)=CC(C)C1[N+](=O)[O-]
InChIInChI=1S/C12H20N2O4/c1-3-12(15)10(13-4-6-18-7-5-13)8-9(2)11(12)14(16)17/h8-9,11,15H,3-7H2,1-2H3
InChIKeyAEXWFGDMFDNOHU-UHFFFAOYSA-N
XLogP0.64
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
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 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol?
The IUPAC name of 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol (CID 15094447) is 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol.
What is the SMILES notation for 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol?
The canonical SMILES for 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol is CCC1(O)C(N2CCOCC2)=CC(C)C1[N+](=O)[O-].
What is the InChIKey of 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol?
The InChIKey is AEXWFGDMFDNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-12(15)10(13-4-6-18-7-5-13)8-9(2)11(12)14(16)17/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol?
1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol has a molecular weight of 256.30 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol is sourced from PubChem (CID 15094447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).