1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea

C7H10N2O3 — CID 54330793

IUPAC1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NO
InChIInChI=1S/C7H10N2O3/c1-9(7(10)8-11)4-6-2-3-12-5-6/h2-3,5,11H,4H2,1H3,(H,8,10)
InChIKeySYEYAJRZSXQBCO-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.81
Rot. Bonds2

About 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea

1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea (PubChem CID 54330793) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
PubChem CID54330793
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
SMILESCN(Cc1ccoc1)C(=O)NO
InChIInChI=1S/C7H10N2O3/c1-9(7(10)8-11)4-6-2-3-12-5-6/h2-3,5,11H,4H2,1H3,(H,8,10)
InChIKeySYEYAJRZSXQBCO-UHFFFAOYSA-N
XLogP0.81
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.81
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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Related Compounds

N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107838816
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
1-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451347
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61422524
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63304810
2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea (CID 54330793) is 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea is CN(Cc1ccoc1)C(=O)NO.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea?
The InChIKey is SYEYAJRZSXQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9(7(10)8-11)4-6-2-3-12-5-6/h2-3,5,11H,4H2,1H3,(H,8,10).
What are the key properties of 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea?
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea has a molecular weight of 170.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea is sourced from PubChem (CID 54330793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).