2-(aminomethyl)-3-methoxypyran-4-one

C7H9NO3 — CID 154814353

IUPAC2-(aminomethyl)-3-methoxypyran-4-one
SMILESCOc1c(CN)occc1=O
InChIInChI=1S/C7H9NO3/c1-10-7-5(9)2-3-11-6(7)4-8/h2-3H,4,8H2,1H3
InChIKeyFSYSXIPBXWRIKP-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.11
Rot. Bonds2

About 2-(aminomethyl)-3-methoxypyran-4-one

2-(aminomethyl)-3-methoxypyran-4-one (PubChem CID 154814353) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methoxypyran-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methoxypyran-4-one
PubChem CID154814353
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(aminomethyl)-3-methoxypyran-4-one
SMILESCOc1c(CN)occc1=O
InChIInChI=1S/C7H9NO3/c1-10-7-5(9)2-3-11-6(7)4-8/h2-3H,4,8H2,1H3
InChIKeyFSYSXIPBXWRIKP-UHFFFAOYSA-N
XLogP0.11
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Kojic amine
CID 3841
2-(aminomethyl)-3-hydroxy-4H-pyran-4-one
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(5-Methoxy-4-oxopyran-2-yl)methylazanium bromide
CID 14876279
2-(Aminomethyl)-5-methoxy-4H-pyran-4-one--hydrogen bromide (1/1)
CID 24213127
2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
(2-Methyl-4-oxopyran-3-yl) 2-aminoacetate
CID 19870744
6-(Azaniumylmethyl)-4-oxopyran-3-olate
CID 32915200
2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
7-(Aminomethyl)oxepin-3-one
CID 122696644
(2-Methoxy-4-oxocyclohexa-2,5-dien-1-yl)azanide
CID 143182814
2-(Aminomethyl)-5-hydroxypyran-4-one;ethane
CID 143197860
5-(Aminomethyl)furan-3-one
CID 148940988

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methoxypyran-4-one?
The IUPAC name of 2-(aminomethyl)-3-methoxypyran-4-one (CID 154814353) is 2-(aminomethyl)-3-methoxypyran-4-one.
What is the SMILES notation for 2-(aminomethyl)-3-methoxypyran-4-one?
The canonical SMILES for 2-(aminomethyl)-3-methoxypyran-4-one is COc1c(CN)occc1=O.
What is the InChIKey of 2-(aminomethyl)-3-methoxypyran-4-one?
The InChIKey is FSYSXIPBXWRIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-10-7-5(9)2-3-11-6(7)4-8/h2-3H,4,8H2,1H3.
What are the key properties of 2-(aminomethyl)-3-methoxypyran-4-one?
2-(aminomethyl)-3-methoxypyran-4-one has a molecular weight of 155.15 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methoxypyran-4-one is sourced from PubChem (CID 154814353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).