N'-(hydroxymethyl)prop-2-enehydrazide

C4H8N2O2 — CID 87129998

IUPACN'-(hydroxymethyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCO
InChIInChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h2,5,7H,1,3H2,(H,6,8)
InChIKeyPZAZOTLFVFONGL-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.26
Rot. Bonds3

About N'-(hydroxymethyl)prop-2-enehydrazide

N'-(hydroxymethyl)prop-2-enehydrazide (PubChem CID 87129998) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N'-(hydroxymethyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(hydroxymethyl)prop-2-enehydrazide
PubChem CID87129998
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN'-(hydroxymethyl)prop-2-enehydrazide
SMILESC=CC(=O)NNCO
InChIInChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h2,5,7H,1,3H2,(H,6,8)
InChIKeyPZAZOTLFVFONGL-UHFFFAOYSA-N
XLogP-1.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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'-(hydroxymethyl)prop-2-enehydrazide?
The IUPAC name of N'-(hydroxymethyl)prop-2-enehydrazide (CID 87129998) is N'-(hydroxymethyl)prop-2-enehydrazide.
What is the SMILES notation for N'-(hydroxymethyl)prop-2-enehydrazide?
The canonical SMILES for N'-(hydroxymethyl)prop-2-enehydrazide is C=CC(=O)NNCO.
What is the InChIKey of N'-(hydroxymethyl)prop-2-enehydrazide?
The InChIKey is PZAZOTLFVFONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2-4(8)6-5-3-7/h2,5,7H,1,3H2,(H,6,8).
What are the key properties of N'-(hydroxymethyl)prop-2-enehydrazide?
N'-(hydroxymethyl)prop-2-enehydrazide has a molecular weight of 116.12 g/mol, XLogP of -1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(hydroxymethyl)prop-2-enehydrazide is sourced from PubChem (CID 87129998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).