[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate

C6H11N5O2 — CID 173073791

IUPAC[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C6H11N5O2/c1-3(2)4(12)13-11-6(9)10-5(7)8/h1H2,2H3,(H6,7,8,9,10,11)
InChIKeyNXTFITREEANTHN-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.39
Rot. Bonds2

About [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate

[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate (PubChem CID 173073791) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
PubChem CID173073791
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ON=C(N)N=C(N)N
InChIInChI=1S/C6H11N5O2/c1-3(2)4(12)13-11-6(9)10-5(7)8/h1H2,2H3,(H6,7,8,9,10,11)
InChIKeyNXTFITREEANTHN-UHFFFAOYSA-N
XLogP-1.39
TPSA129.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
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

(diaminomethylideneamino) 2-methylprop-2-enoate
CID 87840247
bis[[amino-(diaminomethylideneamino)methylidene]amino] hexanedioate;hydrochloride
CID 175018028
[(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
(E)-[amino-(diaminomethylideneamino)methylidene]urea
CID 55289694
bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
CID 87104189
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
ethyl 2-methylprop-2-enoate
CID 130475774

Frequently Asked Questions

What is the IUPAC name of [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate?
The IUPAC name of [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate (CID 173073791) is [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate.
What is the SMILES notation for [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate?
The canonical SMILES for [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate is C=C(C)C(=O)ON=C(N)N=C(N)N.
What is the InChIKey of [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate?
The InChIKey is NXTFITREEANTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-3(2)4(12)13-11-6(9)10-5(7)8/h1H2,2H3,(H6,7,8,9,10,11).
What are the key properties of [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate?
[[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate has a molecular weight of 185.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(diaminomethylideneamino)methylidene]amino] 2-methylprop-2-enoate is sourced from PubChem (CID 173073791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).