(diaminomethylideneamino) 2-methylprop-2-enoate

C5H9N3O2 — CID 87840247

IUPAC(diaminomethylideneamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(N)N
InChIInChI=1S/C5H9N3O2/c1-3(2)4(9)10-8-5(6)7/h1H2,2H3,(H4,6,7,8)
InChIKeyHRKNTNAFGRDPBA-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.71
Rot. Bonds2

About (diaminomethylideneamino) 2-methylprop-2-enoate

(diaminomethylideneamino) 2-methylprop-2-enoate (PubChem CID 87840247) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (diaminomethylideneamino) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(diaminomethylideneamino) 2-methylprop-2-enoate
PubChem CID87840247
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(diaminomethylideneamino) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(N)N
InChIInChI=1S/C5H9N3O2/c1-3(2)4(9)10-8-5(6)7/h1H2,2H3,(H4,6,7,8)
InChIKeyHRKNTNAFGRDPBA-UHFFFAOYSA-N
XLogP-0.71
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
CID 173073791
CID 162314144
CID 162314144
[(E)-1-phenylethylideneamino] 2-methylprop-2-enoate
CID 14745058
diazenyl 2-methylprop-2-enoate
CID 174897093
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
isocyanatomethyl 2-methylprop-2-enoate
CID 15109956
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
CID 175062264
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
CID 87104189
hydroxymethyl 2-methylprop-2-enoate
CID 159274421

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino) 2-methylprop-2-enoate?
The IUPAC name of (diaminomethylideneamino) 2-methylprop-2-enoate (CID 87840247) is (diaminomethylideneamino) 2-methylprop-2-enoate.
What is the SMILES notation for (diaminomethylideneamino) 2-methylprop-2-enoate?
The canonical SMILES for (diaminomethylideneamino) 2-methylprop-2-enoate is C=C(C)C(=O)ON=C(N)N.
What is the InChIKey of (diaminomethylideneamino) 2-methylprop-2-enoate?
The InChIKey is HRKNTNAFGRDPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3(2)4(9)10-8-5(6)7/h1H2,2H3,(H4,6,7,8).
What are the key properties of (diaminomethylideneamino) 2-methylprop-2-enoate?
(diaminomethylideneamino) 2-methylprop-2-enoate has a molecular weight of 143.15 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino) 2-methylprop-2-enoate is sourced from PubChem (CID 87840247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).