1-(1-aminopropylidene)-3-methylurea

C5H11N3O — CID 85439729

IUPAC1-(1-aminopropylidene)-3-methylurea
SMILESCCC(N)=NC(=O)NC
InChIInChI=1S/C5H11N3O/c1-3-4(6)8-5(9)7-2/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyNESVDRPDCXLZJH-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.09
Rot. Bonds1

About 1-(1-aminopropylidene)-3-methylurea

1-(1-aminopropylidene)-3-methylurea (PubChem CID 85439729) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(1-aminopropylidene)-3-methylurea.

Molecular Properties

Compound Name1-(1-aminopropylidene)-3-methylurea
PubChem CID85439729
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1-(1-aminopropylidene)-3-methylurea
SMILESCCC(N)=NC(=O)NC
InChIInChI=1S/C5H11N3O/c1-3-4(6)8-5(9)7-2/h3H2,1-2H3,(H3,6,7,8,9)
InChIKeyNESVDRPDCXLZJH-UHFFFAOYSA-N
XLogP0.09
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.09
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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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopropylidene)-3-methylurea?
The IUPAC name of 1-(1-aminopropylidene)-3-methylurea (CID 85439729) is 1-(1-aminopropylidene)-3-methylurea.
What is the SMILES notation for 1-(1-aminopropylidene)-3-methylurea?
The canonical SMILES for 1-(1-aminopropylidene)-3-methylurea is CCC(N)=NC(=O)NC.
What is the InChIKey of 1-(1-aminopropylidene)-3-methylurea?
The InChIKey is NESVDRPDCXLZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3-4(6)8-5(9)7-2/h3H2,1-2H3,(H3,6,7,8,9).
What are the key properties of 1-(1-aminopropylidene)-3-methylurea?
1-(1-aminopropylidene)-3-methylurea has a molecular weight of 129.16 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropylidene)-3-methylurea is sourced from PubChem (CID 85439729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).