1-aminopropylurea

C4H11N3O — CID 22061623

IUPAC1-aminopropylurea
SMILESCCC(N)NC(N)=O
InChIInChI=1S/C4H11N3O/c1-2-3(5)7-4(6)8/h3H,2,5H2,1H3,(H3,6,7,8)
InChIKeyDZPDRBXNQJFQOR-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.65
Rot. Bonds2

About 1-aminopropylurea

1-aminopropylurea (PubChem CID 22061623) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-aminopropylurea.

Molecular Properties

Compound Name1-aminopropylurea
PubChem CID22061623
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name1-aminopropylurea
SMILESCCC(N)NC(N)=O
InChIInChI=1S/C4H11N3O/c1-2-3(5)7-4(6)8/h3H,2,5H2,1H3,(H3,6,7,8)
InChIKeyDZPDRBXNQJFQOR-UHFFFAOYSA-N
XLogP-0.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropylurea?
The IUPAC name of 1-aminopropylurea (CID 22061623) is 1-aminopropylurea.
What is the SMILES notation for 1-aminopropylurea?
The canonical SMILES for 1-aminopropylurea is CCC(N)NC(N)=O.
What is the InChIKey of 1-aminopropylurea?
The InChIKey is DZPDRBXNQJFQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c1-2-3(5)7-4(6)8/h3H,2,5H2,1H3,(H3,6,7,8).
What are the key properties of 1-aminopropylurea?
1-aminopropylurea has a molecular weight of 117.15 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropylurea is sourced from PubChem (CID 22061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).