2-amino-5-methylfuran-3-carbaldehyde

C6H7NO2 — CID 98012890

IUPAC2-amino-5-methylfuran-3-carbaldehyde
SMILESCc1cc(C=O)c(N)o1
InChIInChI=1S/C6H7NO2/c1-4-2-5(3-8)6(7)9-4/h2-3H,7H2,1H3
InChIKeyBGUHCUUGRWKXKH-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.98
Rot. Bonds1

About 2-amino-5-methylfuran-3-carbaldehyde

2-amino-5-methylfuran-3-carbaldehyde (PubChem CID 98012890) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-amino-5-methylfuran-3-carbaldehyde.

Molecular Properties

Compound Name2-amino-5-methylfuran-3-carbaldehyde
PubChem CID98012890
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name2-amino-5-methylfuran-3-carbaldehyde
SMILESCc1cc(C=O)c(N)o1
InChIInChI=1S/C6H7NO2/c1-4-2-5(3-8)6(7)9-4/h2-3H,7H2,1H3
InChIKeyBGUHCUUGRWKXKH-UHFFFAOYSA-N
XLogP0.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylfuran-3-carbaldehyde?
The IUPAC name of 2-amino-5-methylfuran-3-carbaldehyde (CID 98012890) is 2-amino-5-methylfuran-3-carbaldehyde.
What is the SMILES notation for 2-amino-5-methylfuran-3-carbaldehyde?
The canonical SMILES for 2-amino-5-methylfuran-3-carbaldehyde is Cc1cc(C=O)c(N)o1.
What is the InChIKey of 2-amino-5-methylfuran-3-carbaldehyde?
The InChIKey is BGUHCUUGRWKXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-5(3-8)6(7)9-4/h2-3H,7H2,1H3.
What are the key properties of 2-amino-5-methylfuran-3-carbaldehyde?
2-amino-5-methylfuran-3-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylfuran-3-carbaldehyde is sourced from PubChem (CID 98012890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).