pyrrolidin-3-ylurea

C5H11N3O — CID 13402006

IUPACpyrrolidin-3-ylurea
SMILESNC(=O)NC1CCNC1
InChIInChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)
InChIKeyXGBULVIMVCHZSV-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.98
Rot. Bonds1

About pyrrolidin-3-ylurea

pyrrolidin-3-ylurea (PubChem CID 13402006) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is pyrrolidin-3-ylurea.

Molecular Properties

Compound Namepyrrolidin-3-ylurea
PubChem CID13402006
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Namepyrrolidin-3-ylurea
SMILESNC(=O)NC1CCNC1
InChIInChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9)
InChIKeyXGBULVIMVCHZSV-UHFFFAOYSA-N
XLogP-0.98
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze pyrrolidin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-ylurea?
The IUPAC name of pyrrolidin-3-ylurea (CID 13402006) is pyrrolidin-3-ylurea.
What is the SMILES notation for pyrrolidin-3-ylurea?
The canonical SMILES for pyrrolidin-3-ylurea is NC(=O)NC1CCNC1.
What is the InChIKey of pyrrolidin-3-ylurea?
The InChIKey is XGBULVIMVCHZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-5(9)8-4-1-2-7-3-4/h4,7H,1-3H2,(H3,6,8,9).
What are the key properties of pyrrolidin-3-ylurea?
pyrrolidin-3-ylurea has a molecular weight of 129.16 g/mol, XLogP of -0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-ylurea is sourced from PubChem (CID 13402006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).