2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione

C9H16N2O4 — CID 161263615

IUPAC2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCO)C1=O.NCCO
InChIInChI=1S/C7H9NO3.C2H7NO/c1-5-4-6(10)8(2-3-9)7(5)11;3-1-2-4/h4,9H,2-3H2,1H3;4H,1-3H2
InChIKeyVCWQDKXYGPNFBN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.77
Rot. Bonds3

About 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione

2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione (PubChem CID 161263615) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione
PubChem CID161263615
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCO)C1=O.NCCO
InChIInChI=1S/C7H9NO3.C2H7NO/c1-5-4-6(10)8(2-3-9)7(5)11;3-1-2-4/h4,9H,2-3H2,1H3;4H,1-3H2
InChIKeyVCWQDKXYGPNFBN-UHFFFAOYSA-N
XLogP-1.77
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
1-[2-Hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
CID 19968753
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2-methylprop-2-enamide
CID 21391661
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 22077218
N-(2-hydroxyethyl)-2-methylbut-2-enediamide
CID 53978629
N-(2-hydroxyethyl)-N,2-dimethylbut-2-enediamide
CID 54348650
N-{2-[Bis(2-hydroxyethyl)amino]ethyl}-2-methylprop-2-enamide
CID 58999384
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 68404499
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 87258458
Bis(2-hydroxyethyl)-methyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 87265179
Bis(2-hydroxyethyl)-methyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87265180

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione (CID 161263615) is 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CCO)C1=O.NCCO.
What is the InChIKey of 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is VCWQDKXYGPNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.C2H7NO/c1-5-4-6(10)8(2-3-9)7(5)11;3-1-2-4/h4,9H,2-3H2,1H3;4H,1-3H2.
What are the key properties of 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione?
2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 216.24 g/mol, XLogP of -1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 161263615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).