pyrrol-1-ylurea

C5H7N3O — CID 66968528

IUPACpyrrol-1-ylurea
SMILESNC(=O)Nn1cccc1
InChIInChI=1S/C5H7N3O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H3,6,7,9)
InChIKeyJBARIOKXBTZQEI-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.11
Rot. Bonds1

About pyrrol-1-ylurea

pyrrol-1-ylurea (PubChem CID 66968528) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is pyrrol-1-ylurea.

Molecular Properties

Compound Namepyrrol-1-ylurea
PubChem CID66968528
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Namepyrrol-1-ylurea
SMILESNC(=O)Nn1cccc1
InChIInChI=1S/C5H7N3O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H3,6,7,9)
InChIKeyJBARIOKXBTZQEI-UHFFFAOYSA-N
XLogP0.11
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrrol-1-ylurea?
The IUPAC name of pyrrol-1-ylurea (CID 66968528) is pyrrol-1-ylurea.
What is the SMILES notation for pyrrol-1-ylurea?
The canonical SMILES for pyrrol-1-ylurea is NC(=O)Nn1cccc1.
What is the InChIKey of pyrrol-1-ylurea?
The InChIKey is JBARIOKXBTZQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5(9)7-8-3-1-2-4-8/h1-4H,(H3,6,7,9).
What are the key properties of pyrrol-1-ylurea?
pyrrol-1-ylurea has a molecular weight of 125.13 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrol-1-ylurea is sourced from PubChem (CID 66968528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).