2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea

C7H14N4O — CID 83120369

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea
SMILESNC(=O)NCCNC1=NCCC1
InChIInChI=1S/C7H14N4O/c8-7(12)11-5-4-10-6-2-1-3-9-6/h1-5H2,(H,9,10)(H3,8,11,12)
InChIKeyHOAWQIPHYLFMTE-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.56
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea

2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea (PubChem CID 83120369) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea
PubChem CID83120369
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea
SMILESNC(=O)NCCNC1=NCCC1
InChIInChI=1S/C7H14N4O/c8-7(12)11-5-4-10-6-2-1-3-9-6/h1-5H2,(H,9,10)(H3,8,11,12)
InChIKeyHOAWQIPHYLFMTE-UHFFFAOYSA-N
XLogP-0.56
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea (CID 83120369) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea is NC(=O)NCCNC1=NCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea?
The InChIKey is HOAWQIPHYLFMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c8-7(12)11-5-4-10-6-2-1-3-9-6/h1-5H2,(H,9,10)(H3,8,11,12).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea has a molecular weight of 170.22 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethylurea is sourced from PubChem (CID 83120369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).