1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one

C11H18N2O2 — CID 62879823

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one
SMILESCC(C)NCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-9(2)12-7-11(15)8-13-5-3-10(14)4-6-13/h3-6,9,11-12,15H,7-8H2,1-2H3
InChIKeyVBWCSMUDCMVBOP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.21
Rot. Bonds5

About 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one

1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one (PubChem CID 62879823) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one
PubChem CID62879823
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one
SMILESCC(C)NCC(O)Cn1ccc(=O)cc1
InChIInChI=1S/C11H18N2O2/c1-9(2)12-7-11(15)8-13-5-3-10(14)4-6-13/h3-6,9,11-12,15H,7-8H2,1-2H3
InChIKeyVBWCSMUDCMVBOP-UHFFFAOYSA-N
XLogP0.21
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one (CID 62879823) is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one is CC(C)NCC(O)Cn1ccc(=O)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one?
The InChIKey is VBWCSMUDCMVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(2)12-7-11(15)8-13-5-3-10(14)4-6-13/h3-6,9,11-12,15H,7-8H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one?
1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one has a molecular weight of 210.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]pyridin-4-one is sourced from PubChem (CID 62879823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).