1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one

C13H20N2O3 — CID 82897266

IUPAC1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one
SMILESNCC1(OCCn2ccccc2=O)CCOCC1
InChIInChI=1S/C13H20N2O3/c14-11-13(4-8-17-9-5-13)18-10-7-15-6-2-1-3-12(15)16/h1-3,6H,4-5,7-11,14H2
InChIKeyLHNVVWGCUNRJNJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.37
Rot. Bonds5

About 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one

1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one (PubChem CID 82897266) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one
PubChem CID82897266
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one
SMILESNCC1(OCCn2ccccc2=O)CCOCC1
InChIInChI=1S/C13H20N2O3/c14-11-13(4-8-17-9-5-13)18-10-7-15-6-2-1-3-12(15)16/h1-3,6H,4-5,7-11,14H2
InChIKeyLHNVVWGCUNRJNJ-UHFFFAOYSA-N
XLogP0.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one (CID 82897266) is 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one is NCC1(OCCn2ccccc2=O)CCOCC1.
What is the InChIKey of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one?
The InChIKey is LHNVVWGCUNRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-11-13(4-8-17-9-5-13)18-10-7-15-6-2-1-3-12(15)16/h1-3,6H,4-5,7-11,14H2.
What are the key properties of 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one?
1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one has a molecular weight of 252.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)oxan-4-yl]oxyethyl]pyridin-2-one is sourced from PubChem (CID 82897266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).