5-(aminomethylidene)-2H-pyran-6-one

C6H7NO2 — CID 54034934

IUPAC5-(aminomethylidene)-2H-pyran-6-one
SMILESNC=C1C=CCOC1=O
InChIInChI=1S/C6H7NO2/c7-4-5-2-1-3-9-6(5)8/h1-2,4H,3,7H2
InChIKeyLIGJOMFLDSSQIB-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.06
Rot. Bonds

About 5-(aminomethylidene)-2H-pyran-6-one

5-(aminomethylidene)-2H-pyran-6-one (PubChem CID 54034934) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 5-(aminomethylidene)-2H-pyran-6-one.

Molecular Properties

Compound Name5-(aminomethylidene)-2H-pyran-6-one
PubChem CID54034934
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name5-(aminomethylidene)-2H-pyran-6-one
SMILESNC=C1C=CCOC1=O
InChIInChI=1S/C6H7NO2/c7-4-5-2-1-3-9-6(5)8/h1-2,4H,3,7H2
InChIKeyLIGJOMFLDSSQIB-UHFFFAOYSA-N
XLogP-0.06
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethylidene)-2H-pyran-6-one?
The IUPAC name of 5-(aminomethylidene)-2H-pyran-6-one (CID 54034934) is 5-(aminomethylidene)-2H-pyran-6-one.
What is the SMILES notation for 5-(aminomethylidene)-2H-pyran-6-one?
The canonical SMILES for 5-(aminomethylidene)-2H-pyran-6-one is NC=C1C=CCOC1=O.
What is the InChIKey of 5-(aminomethylidene)-2H-pyran-6-one?
The InChIKey is LIGJOMFLDSSQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c7-4-5-2-1-3-9-6(5)8/h1-2,4H,3,7H2.
What are the key properties of 5-(aminomethylidene)-2H-pyran-6-one?
5-(aminomethylidene)-2H-pyran-6-one has a molecular weight of 125.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethylidene)-2H-pyran-6-one is sourced from PubChem (CID 54034934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).