2-(4-amino-2-pyridinyl)oxan-4-one

C10H12N2O2 — CID 172993047

IUPAC2-(4-amino-2-pyridinyl)oxan-4-one
SMILESNc1ccnc(C2CC(=O)CCO2)c1
InChIInChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12)
InChIKeyJUTCBRYMSXDPTI-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-amino-2-pyridinyl)oxan-4-one

2-(4-amino-2-pyridinyl)oxan-4-one (PubChem CID 172993047) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(4-amino-2-pyridinyl)oxan-4-one.

Molecular Properties

Compound Name2-(4-amino-2-pyridinyl)oxan-4-one
PubChem CID172993047
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(4-amino-2-pyridinyl)oxan-4-one
SMILESNc1ccnc(C2CC(=O)CCO2)c1
InChIInChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12)
InChIKeyJUTCBRYMSXDPTI-UHFFFAOYSA-N
XLogP1.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-pyridinyl)oxan-4-one?
The IUPAC name of 2-(4-amino-2-pyridinyl)oxan-4-one (CID 172993047) is 2-(4-amino-2-pyridinyl)oxan-4-one.
What is the SMILES notation for 2-(4-amino-2-pyridinyl)oxan-4-one?
The canonical SMILES for 2-(4-amino-2-pyridinyl)oxan-4-one is Nc1ccnc(C2CC(=O)CCO2)c1.
What is the InChIKey of 2-(4-amino-2-pyridinyl)oxan-4-one?
The InChIKey is JUTCBRYMSXDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-1-3-12-9(5-7)10-6-8(13)2-4-14-10/h1,3,5,10H,2,4,6H2,(H2,11,12).
What are the key properties of 2-(4-amino-2-pyridinyl)oxan-4-one?
2-(4-amino-2-pyridinyl)oxan-4-one has a molecular weight of 192.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-pyridinyl)oxan-4-one is sourced from PubChem (CID 172993047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).