6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one

C11H19NO2 — CID 167428124

IUPAC6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
SMILESCC(C)C1C2OCCC2CC(=O)N1C
InChIInChI=1S/C11H19NO2/c1-7(2)10-11-8(4-5-14-11)6-9(13)12(10)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyCWHVALYLUJGNNU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds1

About 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one

6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one (PubChem CID 167428124) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one.

Molecular Properties

Compound Name6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
PubChem CID167428124
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one
SMILESCC(C)C1C2OCCC2CC(=O)N1C
InChIInChI=1S/C11H19NO2/c1-7(2)10-11-8(4-5-14-11)6-9(13)12(10)3/h7-8,10-11H,4-6H2,1-3H3
InChIKeyCWHVALYLUJGNNU-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The IUPAC name of 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one (CID 167428124) is 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one.
What is the SMILES notation for 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The canonical SMILES for 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one is CC(C)C1C2OCCC2CC(=O)N1C.
What is the InChIKey of 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
The InChIKey is CWHVALYLUJGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)10-11-8(4-5-14-11)6-9(13)12(10)3/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one?
6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-propan-2-yl-2,3,3a,4,7,7a-hexahydrofuro[2,3-c]pyridin-5-one is sourced from PubChem (CID 167428124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).