N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride

C6H12ClN3O2 — CID 18998007

IUPACN'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
SMILESC=C(C)C(=O)NNC(=O)CN.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-4(2)6(11)9-8-5(10)3-7;/h1,3,7H2,2H3,(H,8,10)(H,9,11);1H
InChIKeyMXSFODNROBAFDZ-UHFFFAOYSA-N
MW193.63 g/mol
LogP-0.91
Rot. Bonds2

About N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride

N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride (PubChem CID 18998007) has the molecular formula C6H12ClN3O2 and a molecular weight of 193.63 g/mol. Its IUPAC name is N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride.

Molecular Properties

Compound NameN'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
PubChem CID18998007
Molecular FormulaC6H12ClN3O2
Molecular Weight193.63 g/mol
Exact Mass193.06
IUPAC NameN'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
SMILESC=C(C)C(=O)NNC(=O)CN.Cl
InChIInChI=1S/C6H11N3O2.ClH/c1-4(2)6(11)9-8-5(10)3-7;/h1,3,7H2,2H3,(H,8,10)(H,9,11);1H
InChIKeyMXSFODNROBAFDZ-UHFFFAOYSA-N
XLogP-0.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride?
The IUPAC name of N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride (CID 18998007) is N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride.
What is the SMILES notation for N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride?
The canonical SMILES for N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride is C=C(C)C(=O)NNC(=O)CN.Cl.
What is the InChIKey of N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride?
The InChIKey is MXSFODNROBAFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.ClH/c1-4(2)6(11)9-8-5(10)3-7;/h1,3,7H2,2H3,(H,8,10)(H,9,11);1H.
What are the key properties of N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride?
N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of -0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride is sourced from PubChem (CID 18998007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).