bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium

C10H17N2O4+ — CID 87910115

IUPACbis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](CCO)(CCO)C(=O)C=C
InChIInChI=1S/C10H16N2O4/c1-3-9(15)11-12(5-7-13,6-8-14)10(16)4-2/h3-4,13-14H,1-2,5-8H2/p+1
InChIKeyNZKLPZJYFGIOHK-UHFFFAOYSA-O
MW229.26 g/mol
LogP-1.28
Rot. Bonds6

About bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium

bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium (PubChem CID 87910115) has the molecular formula C10H17N2O4+ and a molecular weight of 229.26 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium
PubChem CID87910115
Molecular FormulaC10H17N2O4+
Molecular Weight229.26 g/mol
Exact Mass229.12
IUPAC Namebis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](CCO)(CCO)C(=O)C=C
InChIInChI=1S/C10H16N2O4/c1-3-9(15)11-12(5-7-13,6-8-14)10(16)4-2/h3-4,13-14H,1-2,5-8H2/p+1
InChIKeyNZKLPZJYFGIOHK-UHFFFAOYSA-O
XLogP-1.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium?
The IUPAC name of bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium (CID 87910115) is bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium.
What is the SMILES notation for bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium?
The canonical SMILES for bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium is C=CC(=O)N[N+](CCO)(CCO)C(=O)C=C.
What is the InChIKey of bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium?
The InChIKey is NZKLPZJYFGIOHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2O4/c1-3-9(15)11-12(5-7-13,6-8-14)10(16)4-2/h3-4,13-14H,1-2,5-8H2/p+1.
What are the key properties of bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium?
bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium has a molecular weight of 229.26 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium is sourced from PubChem (CID 87910115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).