8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one

C17H22N2O — CID 71683605

IUPAC8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1CCC2(c3ccc4c(c3)CCCC4)NCCCN12
InChIInChI=1S/C17H22N2O/c20-16-8-9-17(18-10-3-11-19(16)17)15-7-6-13-4-1-2-5-14(13)12-15/h6-7,12,18H,1-5,8-11H2
InChIKeyUSDFBBKAAWFRMN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.33
Rot. Bonds1

About 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one

8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 71683605) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
PubChem CID71683605
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1CCC2(c3ccc4c(c3)CCCC4)NCCCN12
InChIInChI=1S/C17H22N2O/c20-16-8-9-17(18-10-3-11-19(16)17)15-7-6-13-4-1-2-5-14(13)12-15/h6-7,12,18H,1-5,8-11H2
InChIKeyUSDFBBKAAWFRMN-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one (CID 71683605) is 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one is O=C1CCC2(c3ccc4c(c3)CCCC4)NCCCN12.
What is the InChIKey of 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is USDFBBKAAWFRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-16-8-9-17(18-10-3-11-19(16)17)15-7-6-13-4-1-2-5-14(13)12-15/h6-7,12,18H,1-5,8-11H2.
What are the key properties of 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 270.38 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 71683605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).