[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone

C11H15N3O5 — CID 81484873

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1
InChIInChI=1S/C11H15N3O5/c1-7(12)9-6-13(4-5-18-9)11(15)8-2-3-10(19-8)14(16)17/h2-3,7,9H,4-6,12H2,1H3
InChIKeyGODGGGLMIJPQKF-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.38
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone (PubChem CID 81484873) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
PubChem CID81484873
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1
InChIInChI=1S/C11H15N3O5/c1-7(12)9-6-13(4-5-18-9)11(15)8-2-3-10(19-8)14(16)17/h2-3,7,9H,4-6,12H2,1H3
InChIKeyGODGGGLMIJPQKF-UHFFFAOYSA-N
XLogP0.38
TPSA111.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81484249
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81487374
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[3-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone;hydrochloride
CID 119489082
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylsulfanylphenyl)methanone
CID 81484165

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone (CID 81484873) is [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone is CC(N)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone?
The InChIKey is GODGGGLMIJPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(12)9-6-13(4-5-18-9)11(15)8-2-3-10(19-8)14(16)17/h2-3,7,9H,4-6,12H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone has a molecular weight of 269.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 81484873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).