4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine

C12H17NO — CID 91113567

IUPAC4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine
SMILESCc1cnc(C(C)(C)C)c2c1OCC2
InChIInChI=1S/C12H17NO/c1-8-7-13-11(12(2,3)4)9-5-6-14-10(8)9/h7H,5-6H2,1-4H3
InChIKeyXQBQWPKVRIIQQQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.62
Rot. Bonds

About 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine

4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine (PubChem CID 91113567) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine
PubChem CID91113567
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine
SMILESCc1cnc(C(C)(C)C)c2c1OCC2
InChIInChI=1S/C12H17NO/c1-8-7-13-11(12(2,3)4)9-5-6-14-10(8)9/h7H,5-6H2,1-4H3
InChIKeyXQBQWPKVRIIQQQ-UHFFFAOYSA-N
XLogP2.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine?
The IUPAC name of 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine (CID 91113567) is 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine is Cc1cnc(C(C)(C)C)c2c1OCC2.
What is the InChIKey of 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine?
The InChIKey is XQBQWPKVRIIQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-13-11(12(2,3)4)9-5-6-14-10(8)9/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine?
4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine has a molecular weight of 191.27 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine is sourced from PubChem (CID 91113567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).