2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea

C10H18N4O — CID 83109384

IUPAC2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
SMILESCCn1ccc(CNCCNC(N)=O)c1
InChIInChI=1S/C10H18N4O/c1-2-14-6-3-9(8-14)7-12-4-5-13-10(11)15/h3,6,8,12H,2,4-5,7H2,1H3,(H3,11,13,15)
InChIKeyCDCICEBWEPUXNV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.27
Rot. Bonds6

About 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea

2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea (PubChem CID 83109384) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
PubChem CID83109384
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
SMILESCCn1ccc(CNCCNC(N)=O)c1
InChIInChI=1S/C10H18N4O/c1-2-14-6-3-9(8-14)7-12-4-5-13-10(11)15/h3,6,8,12H,2,4-5,7H2,1H3,(H3,11,13,15)
InChIKeyCDCICEBWEPUXNV-UHFFFAOYSA-N
XLogP0.27
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
CID 103270570
2-[(1-ethylpyrrol-3-yl)methylamino]-N,N-dimethylacetamide
CID 66397768
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-[(1-propylpyrazol-4-yl)methylamino]ethylurea
CID 103571628
2-[(4-cyanophenyl)methylamino]ethylurea
CID 83111146
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
4-[[2-(carbamoylamino)ethylamino]methyl]benzoic acid
CID 83109931
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
N-benzyl-2-[3-(propylaminomethyl)pyrrol-1-yl]acetamide
CID 66405734
2-[(3,4-dihydroxyphenyl)methylamino]ethylurea
CID 83111530

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea?
The IUPAC name of 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea (CID 83109384) is 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea is CCn1ccc(CNCCNC(N)=O)c1.
What is the InChIKey of 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea?
The InChIKey is CDCICEBWEPUXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-14-6-3-9(8-14)7-12-4-5-13-10(11)15/h3,6,8,12H,2,4-5,7H2,1H3,(H3,11,13,15).
What are the key properties of 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea?
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea has a molecular weight of 210.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea is sourced from PubChem (CID 83109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).