1-amino-3-(furan-2-yl)urea

C5H7N3O2 — CID 11768663

IUPAC1-amino-3-(furan-2-yl)urea
SMILESNNC(=O)Nc1ccco1
InChIInChI=1S/C5H7N3O2/c6-8-5(9)7-4-2-1-3-10-4/h1-3H,6H2,(H2,7,8,9)
InChIKeyPQFGRVFJEQAKPK-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.27
Rot. Bonds1

About 1-amino-3-(furan-2-yl)urea

1-amino-3-(furan-2-yl)urea (PubChem CID 11768663) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-amino-3-(furan-2-yl)urea.

Molecular Properties

Compound Name1-amino-3-(furan-2-yl)urea
PubChem CID11768663
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name1-amino-3-(furan-2-yl)urea
SMILESNNC(=O)Nc1ccco1
InChIInChI=1S/C5H7N3O2/c6-8-5(9)7-4-2-1-3-10-4/h1-3H,6H2,(H2,7,8,9)
InChIKeyPQFGRVFJEQAKPK-UHFFFAOYSA-N
XLogP0.27
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-3-(trifluoromethyl)urea
CID 151624320
4-amino-N-(furan-2-ylcarbamoyl)benzamide
CID 108868549
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
1-(furan-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108868503
1-(2,4-difluorophenyl)-3-(furan-2-yl)urea
CID 108868619
1-(2,5-dimethylphenyl)-3-(furan-2-yl)urea
CID 108868559
1-(furan-2-yl)-3-(5-oxo-2H-thiophen-3-yl)urea
CID 18330645
propan-2-yl N-(furan-2-yl)carbamate
CID 12774670
1-(5-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868656
1-(furan-2-yl)-3-pyrrolidin-3-ylurea
CID 117235239
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659
1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
CID 57072103

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(furan-2-yl)urea?
The IUPAC name of 1-amino-3-(furan-2-yl)urea (CID 11768663) is 1-amino-3-(furan-2-yl)urea.
What is the SMILES notation for 1-amino-3-(furan-2-yl)urea?
The canonical SMILES for 1-amino-3-(furan-2-yl)urea is NNC(=O)Nc1ccco1.
What is the InChIKey of 1-amino-3-(furan-2-yl)urea?
The InChIKey is PQFGRVFJEQAKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-8-5(9)7-4-2-1-3-10-4/h1-3H,6H2,(H2,7,8,9).
What are the key properties of 1-amino-3-(furan-2-yl)urea?
1-amino-3-(furan-2-yl)urea has a molecular weight of 141.13 g/mol, XLogP of 0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(furan-2-yl)urea is sourced from PubChem (CID 11768663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).