(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one

C14H17NO3 — CID 162400869

IUPAC(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one
SMILESCc1ncc2c(c1O)C([C@H]1CCCCC1=O)OC2
InChIInChI=1S/C14H17NO3/c1-8-13(17)12-9(6-15-8)7-18-14(12)10-4-2-3-5-11(10)16/h6,10,14,17H,2-5,7H2,1H3/t10-,14?/m0/s1
InChIKeyCVDHVJZTVMSQOQ-XLLULAGJSA-N
MW247.29 g/mol
LogP2.43
Rot. Bonds1

About (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one

(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one (PubChem CID 162400869) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one
PubChem CID162400869
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one
SMILESCc1ncc2c(c1O)C([C@H]1CCCCC1=O)OC2
InChIInChI=1S/C14H17NO3/c1-8-13(17)12-9(6-15-8)7-18-14(12)10-4-2-3-5-11(10)16/h6,10,14,17H,2-5,7H2,1H3/t10-,14?/m0/s1
InChIKeyCVDHVJZTVMSQOQ-XLLULAGJSA-N
XLogP2.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one?
The IUPAC name of (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one (CID 162400869) is (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one.
What is the SMILES notation for (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one?
The canonical SMILES for (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one is Cc1ncc2c(c1O)C([C@H]1CCCCC1=O)OC2.
What is the InChIKey of (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one?
The InChIKey is CVDHVJZTVMSQOQ-XLLULAGJSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8-13(17)12-9(6-15-8)7-18-14(12)10-4-2-3-5-11(10)16/h6,10,14,17H,2-5,7H2,1H3/t10-,14?/m0/s1.
What are the key properties of (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one?
(2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one has a molecular weight of 247.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 162400869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).