(propanoylamino)urea

C4H9N3O2 — CID 20539833

IUPAC(propanoylamino)urea
SMILESCCC(=O)NNC(N)=O
InChIInChI=1S/C4H9N3O2/c1-2-3(8)6-7-4(5)9/h2H2,1H3,(H,6,8)(H3,5,7,9)
InChIKeyNVVVYBVTAFSWNQ-UHFFFAOYSA-N
MW131.14 g/mol
LogP-0.90
Rot. Bonds1

About (propanoylamino)urea

(propanoylamino)urea (PubChem CID 20539833) has the molecular formula C4H9N3O2 and a molecular weight of 131.14 g/mol. Its IUPAC name is (propanoylamino)urea.

Molecular Properties

Compound Name(propanoylamino)urea
PubChem CID20539833
Molecular FormulaC4H9N3O2
Molecular Weight131.14 g/mol
Exact Mass131.07
IUPAC Name(propanoylamino)urea
SMILESCCC(=O)NNC(N)=O
InChIInChI=1S/C4H9N3O2/c1-2-3(8)6-7-4(5)9/h2H2,1H3,(H,6,8)(H3,5,7,9)
InChIKeyNVVVYBVTAFSWNQ-UHFFFAOYSA-N
XLogP-0.90
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (propanoylamino)urea?
The IUPAC name of (propanoylamino)urea (CID 20539833) is (propanoylamino)urea.
What is the SMILES notation for (propanoylamino)urea?
The canonical SMILES for (propanoylamino)urea is CCC(=O)NNC(N)=O.
What is the InChIKey of (propanoylamino)urea?
The InChIKey is NVVVYBVTAFSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O2/c1-2-3(8)6-7-4(5)9/h2H2,1H3,(H,6,8)(H3,5,7,9).
What are the key properties of (propanoylamino)urea?
(propanoylamino)urea has a molecular weight of 131.14 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (propanoylamino)urea is sourced from PubChem (CID 20539833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).