1H-pyrrol-2-ylurea

C5H7N3O — CID 68657670

IUPAC1H-pyrrol-2-ylurea
SMILESNC(=O)Nc1ccc[nH]1
InChIInChI=1S/C5H7N3O/c6-5(9)8-4-2-1-3-7-4/h1-3,7H,(H3,6,8,9)
InChIKeyMQOJPWXJUMEQMS-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.51
Rot. Bonds1

About 1H-pyrrol-2-ylurea

1H-pyrrol-2-ylurea (PubChem CID 68657670) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 1H-pyrrol-2-ylurea.

Molecular Properties

Compound Name1H-pyrrol-2-ylurea
PubChem CID68657670
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name1H-pyrrol-2-ylurea
SMILESNC(=O)Nc1ccc[nH]1
InChIInChI=1S/C5H7N3O/c6-5(9)8-4-2-1-3-7-4/h1-3,7H,(H3,6,8,9)
InChIKeyMQOJPWXJUMEQMS-UHFFFAOYSA-N
XLogP0.51
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-ylurea?
The IUPAC name of 1H-pyrrol-2-ylurea (CID 68657670) is 1H-pyrrol-2-ylurea.
What is the SMILES notation for 1H-pyrrol-2-ylurea?
The canonical SMILES for 1H-pyrrol-2-ylurea is NC(=O)Nc1ccc[nH]1.
What is the InChIKey of 1H-pyrrol-2-ylurea?
The InChIKey is MQOJPWXJUMEQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c6-5(9)8-4-2-1-3-7-4/h1-3,7H,(H3,6,8,9).
What are the key properties of 1H-pyrrol-2-ylurea?
1H-pyrrol-2-ylurea has a molecular weight of 125.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-ylurea is sourced from PubChem (CID 68657670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).