7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one

C8H14N2O — CID 13092247

IUPAC7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCC1CC2NCCCN2C1=O
InChIInChI=1S/C8H14N2O/c1-6-5-7-9-3-2-4-10(7)8(6)11/h6-7,9H,2-5H2,1H3
InChIKeyZQEYJNMCPHMSNO-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.17
Rot. Bonds

About 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one

7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 13092247) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID13092247
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCC1CC2NCCCN2C1=O
InChIInChI=1S/C8H14N2O/c1-6-5-7-9-3-2-4-10(7)8(6)11/h6-7,9H,2-5H2,1H3
InChIKeyZQEYJNMCPHMSNO-UHFFFAOYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (CID 13092247) is 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is CC1CC2NCCCN2C1=O.
What is the InChIKey of 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is ZQEYJNMCPHMSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-5-7-9-3-2-4-10(7)8(6)11/h6-7,9H,2-5H2,1H3.
What are the key properties of 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 13092247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).