3-amino-6-methylpyran-2-one

C6H7NO2 — CID 46739881

IUPAC3-amino-6-methylpyran-2-one
SMILESCc1ccc(N)c(=O)o1
InChIInChI=1S/C6H7NO2/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3
InChIKeyPYPHSZBRYUOVRD-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.53
Rot. Bonds

About 3-amino-6-methylpyran-2-one

3-amino-6-methylpyran-2-one (PubChem CID 46739881) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-amino-6-methylpyran-2-one.

Molecular Properties

Compound Name3-amino-6-methylpyran-2-one
PubChem CID46739881
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-amino-6-methylpyran-2-one
SMILESCc1ccc(N)c(=O)o1
InChIInChI=1S/C6H7NO2/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3
InChIKeyPYPHSZBRYUOVRD-UHFFFAOYSA-N
XLogP0.53
TPSA56.23 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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46739882
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azane;(5-methylfuran-2-yl)methanol
CID 175565780
3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
CID 58212109
2-fluoropropane;(5-methylfuran-2-yl)methanamine
CID 142882995
3-benzoyl-6-methylpyran-2-one
CID 86099445
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
N-(3-amino-2,6-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 28776911

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methylpyran-2-one?
The IUPAC name of 3-amino-6-methylpyran-2-one (CID 46739881) is 3-amino-6-methylpyran-2-one.
What is the SMILES notation for 3-amino-6-methylpyran-2-one?
The canonical SMILES for 3-amino-6-methylpyran-2-one is Cc1ccc(N)c(=O)o1.
What is the InChIKey of 3-amino-6-methylpyran-2-one?
The InChIKey is PYPHSZBRYUOVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-2-3-5(7)6(8)9-4/h2-3H,7H2,1H3.
What are the key properties of 3-amino-6-methylpyran-2-one?
3-amino-6-methylpyran-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methylpyran-2-one is sourced from PubChem (CID 46739881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).