N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide

C7H14N2O3 — CID 87129922

IUPACN',N'-bis(2-hydroxyethyl)prop-2-enehydrazide
SMILESC=CC(=O)NN(CCO)CCO
InChIInChI=1S/C7H14N2O3/c1-2-7(12)8-9(3-5-10)4-6-11/h2,10-11H,1,3-6H2,(H,8,12)
InChIKeyINOBRXMGRZPBEQ-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.51
Rot. Bonds6

About N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide

N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide (PubChem CID 87129922) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)prop-2-enehydrazide
PubChem CID87129922
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC NameN',N'-bis(2-hydroxyethyl)prop-2-enehydrazide
SMILESC=CC(=O)NN(CCO)CCO
InChIInChI=1S/C7H14N2O3/c1-2-7(12)8-9(3-5-10)4-6-11/h2,10-11H,1,3-6H2,(H,8,12)
InChIKeyINOBRXMGRZPBEQ-UHFFFAOYSA-N
XLogP-1.51
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.51
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'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide (CID 87129922) is N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide is C=CC(=O)NN(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide?
The InChIKey is INOBRXMGRZPBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-7(12)8-9(3-5-10)4-6-11/h2,10-11H,1,3-6H2,(H,8,12).
What are the key properties of N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide?
N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide has a molecular weight of 174.20 g/mol, XLogP of -1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)prop-2-enehydrazide is sourced from PubChem (CID 87129922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).