[5-(hydroxyiminomethyl)furan-2-yl]methanol

C6H7NO3 — CID 71437375

IUPAC[5-(hydroxyiminomethyl)furan-2-yl]methanol
SMILESOCc1ccc(C=NO)o1
InChIInChI=1S/C6H7NO3/c8-4-6-2-1-5(10-6)3-7-9/h1-3,8-9H,4H2
InChIKeyBTBUWOXPYDGVSW-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.58
Rot. Bonds2

About [5-(hydroxyiminomethyl)furan-2-yl]methanol

[5-(hydroxyiminomethyl)furan-2-yl]methanol (PubChem CID 71437375) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is [5-(hydroxyiminomethyl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxyiminomethyl)furan-2-yl]methanol
PubChem CID71437375
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name[5-(hydroxyiminomethyl)furan-2-yl]methanol
SMILESOCc1ccc(C=NO)o1
InChIInChI=1S/C6H7NO3/c8-4-6-2-1-5(10-6)3-7-9/h1-3,8-9H,4H2
InChIKeyBTBUWOXPYDGVSW-UHFFFAOYSA-N
XLogP0.58
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methylfurfuryl alcohol
CID 520911
2,5-Furandimethanol
CID 74663
2-Furancarboxaldehyde, oxime
CID 6871288
5-(Hydroxymethyl)furan-2-carbonitrile
CID 3021406
N-(furan-2-ylmethylidene)hydroxylamine
CID 14271
(E)-4-[5-(Hydroxymethyl)-2-furanyl]-3-butene-2-one
CID 24861973
5-Methyl-2-furaldehyde oxime
CID 9581529
2-Furancarboxaldehyde, oxime, (Z)-
CID 5354160
4-[5-(hydroxymethyl)-2-furanyl]-3-Buten-2-one
CID 66936256
(E)-5-(3,4,5,6-Tetrahydro-3-pyridylidenemethyl)-2-furanmethanol
CID 131751455
(2S,4S)-2-[(E)-furan-2-ylmethylideneamino]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44402118
(5-Vinyl-2-furyl)methanol
CID 12256197

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxyiminomethyl)furan-2-yl]methanol?
The IUPAC name of [5-(hydroxyiminomethyl)furan-2-yl]methanol (CID 71437375) is [5-(hydroxyiminomethyl)furan-2-yl]methanol.
What is the SMILES notation for [5-(hydroxyiminomethyl)furan-2-yl]methanol?
The canonical SMILES for [5-(hydroxyiminomethyl)furan-2-yl]methanol is OCc1ccc(C=NO)o1.
What is the InChIKey of [5-(hydroxyiminomethyl)furan-2-yl]methanol?
The InChIKey is BTBUWOXPYDGVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-4-6-2-1-5(10-6)3-7-9/h1-3,8-9H,4H2.
What are the key properties of [5-(hydroxyiminomethyl)furan-2-yl]methanol?
[5-(hydroxyiminomethyl)furan-2-yl]methanol has a molecular weight of 141.13 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxyiminomethyl)furan-2-yl]methanol is sourced from PubChem (CID 71437375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).