1-ethyl-1-methyl-3-pyrrol-1-ylurea

C8H13N3O — CID 130725660

IUPAC1-ethyl-1-methyl-3-pyrrol-1-ylurea
SMILESCCN(C)C(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c1-3-10(2)8(12)9-11-6-4-5-7-11/h4-7H,3H2,1-2H3,(H,9,12)
InChIKeyKWXGENTZDCVECP-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.10
Rot. Bonds2

About 1-ethyl-1-methyl-3-pyrrol-1-ylurea

1-ethyl-1-methyl-3-pyrrol-1-ylurea (PubChem CID 130725660) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-pyrrol-1-ylurea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-pyrrol-1-ylurea
PubChem CID130725660
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-ethyl-1-methyl-3-pyrrol-1-ylurea
SMILESCCN(C)C(=O)Nn1cccc1
InChIInChI=1S/C8H13N3O/c1-3-10(2)8(12)9-11-6-4-5-7-11/h4-7H,3H2,1-2H3,(H,9,12)
InChIKeyKWXGENTZDCVECP-UHFFFAOYSA-N
XLogP1.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-pyrrol-1-ylurea?
The IUPAC name of 1-ethyl-1-methyl-3-pyrrol-1-ylurea (CID 130725660) is 1-ethyl-1-methyl-3-pyrrol-1-ylurea.
What is the SMILES notation for 1-ethyl-1-methyl-3-pyrrol-1-ylurea?
The canonical SMILES for 1-ethyl-1-methyl-3-pyrrol-1-ylurea is CCN(C)C(=O)Nn1cccc1.
What is the InChIKey of 1-ethyl-1-methyl-3-pyrrol-1-ylurea?
The InChIKey is KWXGENTZDCVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-10(2)8(12)9-11-6-4-5-7-11/h4-7H,3H2,1-2H3,(H,9,12).
What are the key properties of 1-ethyl-1-methyl-3-pyrrol-1-ylurea?
1-ethyl-1-methyl-3-pyrrol-1-ylurea has a molecular weight of 167.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-pyrrol-1-ylurea is sourced from PubChem (CID 130725660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).