2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one

C10H15NO3 — CID 82064031

IUPAC2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one
SMILESCC(C)COc1coc(CN)cc1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-14-10-6-13-8(4-11)3-9(10)12/h3,6-7H,4-5,11H2,1-2H3
InChIKeySJDNEVZCLIBBDS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.13
Rot. Bonds4

About 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one

2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one (PubChem CID 82064031) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one
PubChem CID82064031
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one
SMILESCC(C)COc1coc(CN)cc1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-14-10-6-13-8(4-11)3-9(10)12/h3,6-7H,4-5,11H2,1-2H3
InChIKeySJDNEVZCLIBBDS-UHFFFAOYSA-N
XLogP1.13
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminomethyl-5-methoxy-pyran-4-one
CID 5079829
(5-Methoxy-4-oxopyran-2-yl)methylazanium bromide
CID 14876279
6-(Azaniumylmethyl)-4-oxopyran-3-olate
CID 32915200
2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
2-(Aminomethyl)-5-hydroxypyran-4-one;ethane
CID 143197860
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
5-(Aminomethyl)furan-3-one
CID 148940988
2-(Aminomethyl)-5-methoxy-4H-pyran-4-one--hydrogen bromide (1/1)
CID 24213127
2-(Azidomethyl)-5-propoxypyran-4-one
CID 42625753
2-(Aminomethyl)-5-propoxy-4H-pyran-4-one
CID 42625908
2-(Aminomethyl)-5-ethoxypyran-4-one
CID 82063231
2-(aminomethyl)-5-(prop-2-en-1-yloxy)-4H-pyran-4-one
CID 82064024

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one?
The IUPAC name of 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one (CID 82064031) is 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one?
The canonical SMILES for 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one is CC(C)COc1coc(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one?
The InChIKey is SJDNEVZCLIBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)5-14-10-6-13-8(4-11)3-9(10)12/h3,6-7H,4-5,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one?
2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one has a molecular weight of 197.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-methylpropoxy)pyran-4-one is sourced from PubChem (CID 82064031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).