2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol

C5H11N3O3 — CID 86020896

IUPAC2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol
SMILESCNC(=C[N+](=O)[O-])NCCO
InChIInChI=1S/C5H11N3O3/c1-6-5(4-8(10)11)7-2-3-9/h4,6-7,9H,2-3H2,1H3
InChIKeyZYTCEMCJCXDIDE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.14
Rot. Bonds5

About 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol

2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol (PubChem CID 86020896) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol
PubChem CID86020896
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol
SMILESCNC(=C[N+](=O)[O-])NCCO
InChIInChI=1S/C5H11N3O3/c1-6-5(4-8(10)11)7-2-3-9/h4,6-7,9H,2-3H2,1H3
InChIKeyZYTCEMCJCXDIDE-UHFFFAOYSA-N
XLogP-1.14
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
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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Related Compounds

2-[(E)-2-(Nitromethylidene)imidazolidin-1-yl]ethanol
CID 10374891
1,1-Di(2-hydroxyethylamino)-2-nitroethylene
CID 12350855
1-[[1-(2-Hydroxypropylamino)-2-nitroethenyl]amino]propan-2-ol
CID 13241070
1-(2-methyl-2-nitro-1H-imidazol-3-yl)ethanol
CID 17882659
2-[[(Z)-2-nitro-1-(2-sulfanylethylamino)ethenyl]amino]ethanol
CID 20398427
2-[[(E)-1-(aziridin-1-yl)-2-nitroethenyl]amino]ethanol
CID 20398435
(3-methyl-2-nitro-1H-imidazol-2-yl)methanol
CID 67236609
(3-Methyl-5-nitro-1,2-dihydroimidazol-2-yl)methanol
CID 70129755
2-({1-[(2-Chloroethyl)amino]-2-nitroethenyl}amino)ethan-1-ol
CID 71321937
2-{[1-(Aziridin-1-yl)-2-nitroethenyl]amino}ethan-1-ol
CID 71321938
2-({2-Nitro-1-[(2-sulfanylethyl)amino]ethenyl}amino)ethan-1-ol
CID 71321939
2-[2-(Nitromethylidene)imidazolidin-1-yl]ethan-1-ol
CID 71394901

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol?
The IUPAC name of 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol (CID 86020896) is 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol.
What is the SMILES notation for 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol?
The canonical SMILES for 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol is CNC(=C[N+](=O)[O-])NCCO.
What is the InChIKey of 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol?
The InChIKey is ZYTCEMCJCXDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c1-6-5(4-8(10)11)7-2-3-9/h4,6-7,9H,2-3H2,1H3.
What are the key properties of 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol?
2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol has a molecular weight of 161.16 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(methylamino)-2-nitroethenyl]amino]ethanol is sourced from PubChem (CID 86020896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).