1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one

C14H17NO2 — CID 129255477

IUPAC1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C14H17NO2/c1-14(2,3)12-8-7-11(17-12)10-15-9-5-4-6-13(15)16/h4-9H,10H2,1-3H3
InChIKeyBVUCXSDCCVKIOS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.79
Rot. Bonds2

About 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one

1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one (PubChem CID 129255477) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one
PubChem CID129255477
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one
SMILESCC(C)(C)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C14H17NO2/c1-14(2,3)12-8-7-11(17-12)10-15-9-5-4-6-13(15)16/h4-9H,10H2,1-3H3
InChIKeyBVUCXSDCCVKIOS-UHFFFAOYSA-N
XLogP2.79
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one?
The IUPAC name of 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one (CID 129255477) is 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one is CC(C)(C)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one?
The InChIKey is BVUCXSDCCVKIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2,3)12-8-7-11(17-12)10-15-9-5-4-6-13(15)16/h4-9H,10H2,1-3H3.
What are the key properties of 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one?
1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butylfuran-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 129255477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).