pyrrolidin-2-ylmethylurea

C6H13N3O — CID 62541812

IUPACpyrrolidin-2-ylmethylurea
SMILESNC(=O)NCC1CCCN1
InChIInChI=1S/C6H13N3O/c7-6(10)9-4-5-2-1-3-8-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyNFZYPUZESMHUFD-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.59
Rot. Bonds2

About pyrrolidin-2-ylmethylurea

pyrrolidin-2-ylmethylurea (PubChem CID 62541812) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is pyrrolidin-2-ylmethylurea.

Molecular Properties

Compound Namepyrrolidin-2-ylmethylurea
PubChem CID62541812
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Namepyrrolidin-2-ylmethylurea
SMILESNC(=O)NCC1CCCN1
InChIInChI=1S/C6H13N3O/c7-6(10)9-4-5-2-1-3-8-5/h5,8H,1-4H2,(H3,7,9,10)
InChIKeyNFZYPUZESMHUFD-UHFFFAOYSA-N
XLogP-0.59
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze pyrrolidin-2-ylmethylurea 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-2-ylmethylurea?
The IUPAC name of pyrrolidin-2-ylmethylurea (CID 62541812) is pyrrolidin-2-ylmethylurea.
What is the SMILES notation for pyrrolidin-2-ylmethylurea?
The canonical SMILES for pyrrolidin-2-ylmethylurea is NC(=O)NCC1CCCN1.
What is the InChIKey of pyrrolidin-2-ylmethylurea?
The InChIKey is NFZYPUZESMHUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(10)9-4-5-2-1-3-8-5/h5,8H,1-4H2,(H3,7,9,10).
What are the key properties of pyrrolidin-2-ylmethylurea?
pyrrolidin-2-ylmethylurea has a molecular weight of 143.19 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-ylmethylurea is sourced from PubChem (CID 62541812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).