1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea

C11H19N3O — CID 103731722

IUPAC1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-3-14(4-2)11(15)12-7-10-13-8-5-6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,12,15)
InChIKeyAULYEFLGIMUUCI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds5

About 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea

1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea (PubChem CID 103731722) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
PubChem CID103731722
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea
SMILESCCN(CC)C(=O)NCCn1cccc1
InChIInChI=1S/C11H19N3O/c1-3-14(4-2)11(15)12-7-10-13-8-5-6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,12,15)
InChIKeyAULYEFLGIMUUCI-UHFFFAOYSA-N
XLogP1.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-pyrrol-1-yl)ethan-1-amine
CID 2763816
Pyrrole-1-carboxamide
CID 237946
Methanone, di-1H-pyrrol-2-yl-
CID 27478
1-(2-Pyrrol-1-yl-ethyl)piperazine
CID 2760545
4-(1H-pyrrol-1-yl)butan-1-amine
CID 24265151
methyl(2-(1H-pyrrol-1-yl)ethyl)amine
CID 59730499
N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
CID 75377741
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75394161
Methyl-(3-pyrrol-1-yl-propyl)amine
CID 15044358
N-tert-butylpyrrole-1-carboxamide
CID 85628149
N-Methyl-3-(1H-pyrrol-1-ylmethyl)-1-piperidinecarboxamide
CID 2805517
N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 2822464

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea?
The IUPAC name of 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea (CID 103731722) is 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea is CCN(CC)C(=O)NCCn1cccc1.
What is the InChIKey of 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea?
The InChIKey is AULYEFLGIMUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14(4-2)11(15)12-7-10-13-8-5-6-9-13/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,12,15).
What are the key properties of 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea?
1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea has a molecular weight of 209.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(2-pyrrol-1-ylethyl)urea is sourced from PubChem (CID 103731722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).