1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one

C16H25NO2 — CID 167362637

IUPAC1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one
SMILESCn1cc2c(cc1=O)C(C(C)(C)C)(C(C)(C)C)OC2
InChIInChI=1S/C16H25NO2/c1-14(2,3)16(15(4,5)6)12-8-13(18)17(7)9-11(12)10-19-16/h8-9H,10H2,1-7H3
InChIKeyJUNKVCPQJMMRDD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds

About 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one

1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one (PubChem CID 167362637) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one.

Molecular Properties

Compound Name1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one
PubChem CID167362637
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one
SMILESCn1cc2c(cc1=O)C(C(C)(C)C)(C(C)(C)C)OC2
InChIInChI=1S/C16H25NO2/c1-14(2,3)16(15(4,5)6)12-8-13(18)17(7)9-11(12)10-19-16/h8-9H,10H2,1-7H3
InChIKeyJUNKVCPQJMMRDD-UHFFFAOYSA-N
XLogP3.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one?
The IUPAC name of 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one (CID 167362637) is 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one.
What is the SMILES notation for 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one?
The canonical SMILES for 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one is Cn1cc2c(cc1=O)C(C(C)(C)C)(C(C)(C)C)OC2.
What is the InChIKey of 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one?
The InChIKey is JUNKVCPQJMMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2,3)16(15(4,5)6)12-8-13(18)17(7)9-11(12)10-19-16/h8-9H,10H2,1-7H3.
What are the key properties of 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one?
1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one has a molecular weight of 263.38 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-5-methyl-3H-furo[3,4-c]pyridin-6-one is sourced from PubChem (CID 167362637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).