1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea

C9H12N2O3 — CID 19894227

IUPAC1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccco1
InChIInChI=1S/C9H12N2O3/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12)
InChIKeyQKDYLEPNWGFUAB-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.15
Rot. Bonds3

About 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea

1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea (PubChem CID 19894227) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea
PubChem CID19894227
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea
SMILESNC(=O)N(O)CC1CC1c1ccco1
InChIInChI=1S/C9H12N2O3/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12)
InChIKeyQKDYLEPNWGFUAB-UHFFFAOYSA-N
XLogP1.15
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea (CID 19894227) is 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea is NC(=O)N(O)CC1CC1c1ccco1.
What is the InChIKey of 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
The InChIKey is QKDYLEPNWGFUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-9(12)11(13)5-6-4-7(6)8-2-1-3-14-8/h1-3,6-7,13H,4-5H2,(H2,10,12).
What are the key properties of 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea?
1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea has a molecular weight of 196.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)cyclopropyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 19894227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).