3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one

C10H18N2O — CID 13092248

IUPAC3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESCC1CC2NCC(C)(C)CN2C1=O
InChIInChI=1S/C10H18N2O/c1-7-4-8-11-5-10(2,3)6-12(8)9(7)13/h7-8,11H,4-6H2,1-3H3
InChIKeyMKARCHBYGRIFHZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.81
Rot. Bonds

About 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one

3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 13092248) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one
PubChem CID13092248
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESCC1CC2NCC(C)(C)CN2C1=O
InChIInChI=1S/C10H18N2O/c1-7-4-8-11-5-10(2,3)6-12(8)9(7)13/h7-8,11H,4-6H2,1-3H3
InChIKeyMKARCHBYGRIFHZ-UHFFFAOYSA-N
XLogP0.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one (CID 13092248) is 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one is CC1CC2NCC(C)(C)CN2C1=O.
What is the InChIKey of 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is MKARCHBYGRIFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7-4-8-11-5-10(2,3)6-12(8)9(7)13/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 182.27 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-1,2,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 13092248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).