azane;furan-2-carbaldehyde

C5H7NO2 — CID 19372392

IUPACazane;furan-2-carbaldehyde
SMILESN.O=Cc1ccco1
InChIInChI=1S/C5H4O2.H3N/c6-4-5-2-1-3-7-5;/h1-4H;1H3
InChIKeyUWQSXISWYCPFQW-UHFFFAOYSA-N
MW113.12 g/mol
LogP1.25
Rot. Bonds1

About azane;furan-2-carbaldehyde

azane;furan-2-carbaldehyde (PubChem CID 19372392) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is azane;furan-2-carbaldehyde.

Molecular Properties

Compound Nameazane;furan-2-carbaldehyde
PubChem CID19372392
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Nameazane;furan-2-carbaldehyde
SMILESN.O=Cc1ccco1
InChIInChI=1S/C5H4O2.H3N/c6-4-5-2-1-3-7-5;/h1-4H;1H3
InChIKeyUWQSXISWYCPFQW-UHFFFAOYSA-N
XLogP1.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2-carbaldehyde
CID 76972982
furan-2-carbaldehyde;nickel
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CID 175710332
CID 175710332
furan-2-carbaldehyde;methoxymethane
CID 175302588
furan-2-carbaldehyde phosphate
CID 20507502
CID 171374623
CID 171374623
furan-2-carbaldehyde;nitromethane
CID 23020378
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819
buta-1,3-diene;furan-2-carbaldehyde;prop-2-enenitrile
CID 88724069
ethoxymethoxymethoxyethane;furan-2-carbaldehyde
CID 87637713
cyclohexanol;furan-2-carbaldehyde
CID 163769843

Frequently Asked Questions

What is the IUPAC name of azane;furan-2-carbaldehyde?
The IUPAC name of azane;furan-2-carbaldehyde (CID 19372392) is azane;furan-2-carbaldehyde.
What is the SMILES notation for azane;furan-2-carbaldehyde?
The canonical SMILES for azane;furan-2-carbaldehyde is N.O=Cc1ccco1.
What is the InChIKey of azane;furan-2-carbaldehyde?
The InChIKey is UWQSXISWYCPFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.H3N/c6-4-5-2-1-3-7-5;/h1-4H;1H3.
What are the key properties of azane;furan-2-carbaldehyde?
azane;furan-2-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;furan-2-carbaldehyde is sourced from PubChem (CID 19372392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).