N'-ethylprop-2-enehydrazide

C5H10N2O — CID 22590851

IUPACN'-ethylprop-2-enehydrazide
SMILESC=CC(=O)NNCC
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-6-4-2/h3,6H,1,4H2,2H3,(H,7,8)
InChIKeyMAVHDXJDBJTEGT-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.19
Rot. Bonds3

About N'-ethylprop-2-enehydrazide

N'-ethylprop-2-enehydrazide (PubChem CID 22590851) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-ethylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-ethylprop-2-enehydrazide
PubChem CID22590851
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN'-ethylprop-2-enehydrazide
SMILESC=CC(=O)NNCC
InChIInChI=1S/C5H10N2O/c1-3-5(8)7-6-4-2/h3,6H,1,4H2,2H3,(H,7,8)
InChIKeyMAVHDXJDBJTEGT-UHFFFAOYSA-N
XLogP-0.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-ethylprop-2-enehydrazide?
The IUPAC name of N'-ethylprop-2-enehydrazide (CID 22590851) is N'-ethylprop-2-enehydrazide.
What is the SMILES notation for N'-ethylprop-2-enehydrazide?
The canonical SMILES for N'-ethylprop-2-enehydrazide is C=CC(=O)NNCC.
What is the InChIKey of N'-ethylprop-2-enehydrazide?
The InChIKey is MAVHDXJDBJTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-5(8)7-6-4-2/h3,6H,1,4H2,2H3,(H,7,8).
What are the key properties of N'-ethylprop-2-enehydrazide?
N'-ethylprop-2-enehydrazide has a molecular weight of 114.15 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylprop-2-enehydrazide is sourced from PubChem (CID 22590851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).