(1Z)-1-(1-aminoethylidene)-3-methylurea

C4H9N3O — CID 55289691

IUPAC(1Z)-1-(1-aminoethylidene)-3-methylurea
SMILESCNC(=O)/N=C(/C)N
InChIInChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyIVFWGKAOBUOQJF-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.30
Rot. Bonds

About (1Z)-1-(1-aminoethylidene)-3-methylurea

(1Z)-1-(1-aminoethylidene)-3-methylurea (PubChem CID 55289691) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is (1Z)-1-(1-aminoethylidene)-3-methylurea.

Molecular Properties

Compound Name(1Z)-1-(1-aminoethylidene)-3-methylurea
PubChem CID55289691
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name(1Z)-1-(1-aminoethylidene)-3-methylurea
SMILESCNC(=O)/N=C(/C)N
InChIInChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8)
InChIKeyIVFWGKAOBUOQJF-UHFFFAOYSA-N
XLogP-0.30
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-Aminopropylidene)-3-methylurea
CID 85439729
1-Ethyl-3-[1-(methylideneamino)ethylidene]urea
CID 91113919
N'-(methylaminomethyl)ethanimidamide
CID 123140477
1-(1-Aminoethylidene)-3-propan-2-ylurea
CID 123322101
1-Methyl-3-[1-(methylideneamino)ethylidene]urea
CID 123693100
1-[1-(Carbamoylamino)ethylidene]-3-methylurea
CID 123859378
(3Z)-3-(1-aminoethylidene)-1,1-dimethylurea
CID 141787206
(3E)-3-(1-aminoethylidene)-1,1-dimethylurea;ethane
CID 143112959
(3E)-3-(1-aminopropylidene)-1,1-dimethylurea
CID 143410518
(1E)-1-(1-aminoethylidene)-3-ethylurea
CID 12455297
(1Z)-1-(1-aminopropylidene)-3-methylurea
CID 12455298
(3E)-1-methyl-3-[1-(methylcarbamoylamino)ethylidene]urea
CID 12455300

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-aminoethylidene)-3-methylurea?
The IUPAC name of (1Z)-1-(1-aminoethylidene)-3-methylurea (CID 55289691) is (1Z)-1-(1-aminoethylidene)-3-methylurea.
What is the SMILES notation for (1Z)-1-(1-aminoethylidene)-3-methylurea?
The canonical SMILES for (1Z)-1-(1-aminoethylidene)-3-methylurea is CNC(=O)/N=C(/C)N.
What is the InChIKey of (1Z)-1-(1-aminoethylidene)-3-methylurea?
The InChIKey is IVFWGKAOBUOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-3(5)7-4(8)6-2/h1-2H3,(H3,5,6,7,8).
What are the key properties of (1Z)-1-(1-aminoethylidene)-3-methylurea?
(1Z)-1-(1-aminoethylidene)-3-methylurea has a molecular weight of 115.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-aminoethylidene)-3-methylurea is sourced from PubChem (CID 55289691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).