2-(3-aminopropyl)-5-hydroxypyran-4-one

C8H11NO3 — CID 90672503

IUPAC2-(3-aminopropyl)-5-hydroxypyran-4-one
SMILESNCCCc1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c9-3-1-2-6-4-7(10)8(11)5-12-6/h4-5,11H,1-3,9H2
InChIKeyGNSGZWLPEAMWMR-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.24
Rot. Bonds3

About 2-(3-aminopropyl)-5-hydroxypyran-4-one

2-(3-aminopropyl)-5-hydroxypyran-4-one (PubChem CID 90672503) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-aminopropyl)-5-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-5-hydroxypyran-4-one
PubChem CID90672503
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-(3-aminopropyl)-5-hydroxypyran-4-one
SMILESNCCCc1cc(=O)c(O)co1
InChIInChI=1S/C8H11NO3/c9-3-1-2-6-4-7(10)8(11)5-12-6/h4-5,11H,1-3,9H2
InChIKeyGNSGZWLPEAMWMR-UHFFFAOYSA-N
XLogP0.24
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-5-hydroxypyran-4-one?
The IUPAC name of 2-(3-aminopropyl)-5-hydroxypyran-4-one (CID 90672503) is 2-(3-aminopropyl)-5-hydroxypyran-4-one.
What is the SMILES notation for 2-(3-aminopropyl)-5-hydroxypyran-4-one?
The canonical SMILES for 2-(3-aminopropyl)-5-hydroxypyran-4-one is NCCCc1cc(=O)c(O)co1.
What is the InChIKey of 2-(3-aminopropyl)-5-hydroxypyran-4-one?
The InChIKey is GNSGZWLPEAMWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-3-1-2-6-4-7(10)8(11)5-12-6/h4-5,11H,1-3,9H2.
What are the key properties of 2-(3-aminopropyl)-5-hydroxypyran-4-one?
2-(3-aminopropyl)-5-hydroxypyran-4-one has a molecular weight of 169.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-5-hydroxypyran-4-one is sourced from PubChem (CID 90672503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).