1-methyl-3-[1-(methylideneamino)ethylidene]urea

C5H9N3O — CID 123693100

IUPAC1-methyl-3-[1-(methylideneamino)ethylidene]urea
SMILESC=NC(C)=NC(=O)NC
InChIInChI=1S/C5H9N3O/c1-4(6-2)8-5(9)7-3/h2H2,1,3H3,(H,7,9)
InChIKeyNRNACNPPIKDZIX-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.44
Rot. Bonds

About 1-methyl-3-[1-(methylideneamino)ethylidene]urea

1-methyl-3-[1-(methylideneamino)ethylidene]urea (PubChem CID 123693100) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-methyl-3-[1-(methylideneamino)ethylidene]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(methylideneamino)ethylidene]urea
PubChem CID123693100
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-methyl-3-[1-(methylideneamino)ethylidene]urea
SMILESC=NC(C)=NC(=O)NC
InChIInChI=1S/C5H9N3O/c1-4(6-2)8-5(9)7-3/h2H2,1,3H3,(H,7,9)
InChIKeyNRNACNPPIKDZIX-UHFFFAOYSA-N
XLogP0.44
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.44
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(methylideneamino)ethylidene]urea?
The IUPAC name of 1-methyl-3-[1-(methylideneamino)ethylidene]urea (CID 123693100) is 1-methyl-3-[1-(methylideneamino)ethylidene]urea.
What is the SMILES notation for 1-methyl-3-[1-(methylideneamino)ethylidene]urea?
The canonical SMILES for 1-methyl-3-[1-(methylideneamino)ethylidene]urea is C=NC(C)=NC(=O)NC.
What is the InChIKey of 1-methyl-3-[1-(methylideneamino)ethylidene]urea?
The InChIKey is NRNACNPPIKDZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(6-2)8-5(9)7-3/h2H2,1,3H3,(H,7,9).
What are the key properties of 1-methyl-3-[1-(methylideneamino)ethylidene]urea?
1-methyl-3-[1-(methylideneamino)ethylidene]urea has a molecular weight of 127.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(methylideneamino)ethylidene]urea is sourced from PubChem (CID 123693100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).