(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine

C16H25NO — CID 170522751

IUPAC(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
SMILESCc1nc(C(C)C)c2c(c1C)[C@H](C)OC2C(C)C
InChIInChI=1S/C16H25NO/c1-8(2)15-14-13(10(5)11(6)17-15)12(7)18-16(14)9(3)4/h8-9,12,16H,1-7H3/t12-,16?/m0/s1
InChIKeyONBBHGDQKDRZIN-HKALDPMFSA-N
MW247.38 g/mol
LogP4.61
Rot. Bonds2

About (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine

(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine (PubChem CID 170522751) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine.

Molecular Properties

Compound Name(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
PubChem CID170522751
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine
SMILESCc1nc(C(C)C)c2c(c1C)[C@H](C)OC2C(C)C
InChIInChI=1S/C16H25NO/c1-8(2)15-14-13(10(5)11(6)17-15)12(7)18-16(14)9(3)4/h8-9,12,16H,1-7H3/t12-,16?/m0/s1
InChIKeyONBBHGDQKDRZIN-HKALDPMFSA-N
XLogP4.61
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The IUPAC name of (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine (CID 170522751) is (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine.
What is the SMILES notation for (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The canonical SMILES for (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine is Cc1nc(C(C)C)c2c(c1C)[C@H](C)OC2C(C)C.
What is the InChIKey of (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
The InChIKey is ONBBHGDQKDRZIN-HKALDPMFSA-N. The full InChI is InChI=1S/C16H25NO/c1-8(2)15-14-13(10(5)11(6)17-15)12(7)18-16(14)9(3)4/h8-9,12,16H,1-7H3/t12-,16?/m0/s1.
What are the key properties of (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine?
(1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine has a molecular weight of 247.38 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1,6,7-trimethyl-3,4-di(propan-2-yl)-1,3-dihydrofuro[3,4-c]pyridine is sourced from PubChem (CID 170522751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).