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

C7H10N2O — CID 71328389

IUPAC3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1CCC2=NCCCN12
InChIInChI=1S/C7H10N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-5H2
InChIKeyMJYIEOPQIVVDMA-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.41
Rot. Bonds

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

3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 71328389) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID71328389
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESO=C1CCC2=NCCCN12
InChIInChI=1S/C7H10N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-5H2
InChIKeyMJYIEOPQIVVDMA-UHFFFAOYSA-N
XLogP0.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one (CID 71328389) is 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one is O=C1CCC2=NCCCN12.
What is the InChIKey of 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is MJYIEOPQIVVDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-3-2-6-8-4-1-5-9(6)7/h1-5H2.
What are the key properties of 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one?
3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 138.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 71328389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).