furan-3-carbaldehyde;methanamine

C8H19N3O2 — CID 174445708

IUPACfuran-3-carbaldehyde;methanamine
SMILESCN.CN.CN.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.3CH5N/c6-3-5-1-2-7-4-5;3*1-2/h1-4H;3*2H2,1H3
InChIKeyPDEJODJPWOCRBX-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.18
Rot. Bonds1

About furan-3-carbaldehyde;methanamine

furan-3-carbaldehyde;methanamine (PubChem CID 174445708) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is furan-3-carbaldehyde;methanamine.

Molecular Properties

Compound Namefuran-3-carbaldehyde;methanamine
PubChem CID174445708
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Namefuran-3-carbaldehyde;methanamine
SMILESCN.CN.CN.O=Cc1ccoc1
InChIInChI=1S/C5H4O2.3CH5N/c6-3-5-1-2-7-4-5;3*1-2/h1-4H;3*2H2,1H3
InChIKeyPDEJODJPWOCRBX-UHFFFAOYSA-N
XLogP-0.18
TPSA108.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-3-carbaldehyde;methanamine?
The IUPAC name of furan-3-carbaldehyde;methanamine (CID 174445708) is furan-3-carbaldehyde;methanamine.
What is the SMILES notation for furan-3-carbaldehyde;methanamine?
The canonical SMILES for furan-3-carbaldehyde;methanamine is CN.CN.CN.O=Cc1ccoc1.
What is the InChIKey of furan-3-carbaldehyde;methanamine?
The InChIKey is PDEJODJPWOCRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O2.3CH5N/c6-3-5-1-2-7-4-5;3*1-2/h1-4H;3*2H2,1H3.
What are the key properties of furan-3-carbaldehyde;methanamine?
furan-3-carbaldehyde;methanamine has a molecular weight of 189.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-carbaldehyde;methanamine is sourced from PubChem (CID 174445708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).