3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

C7H10N2O — CID 141054236

IUPAC3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CC=CN12
InChIInChI=1S/C7H10N2O/c10-7-8-4-3-6-2-1-5-9(6)7/h1,5-6H,2-4H2,(H,8,10)
InChIKeyLTENIZBUMBQFDH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.69
Rot. Bonds

About 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (PubChem CID 141054236) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
PubChem CID141054236
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
SMILESO=C1NCCC2CC=CN12
InChIInChI=1S/C7H10N2O/c10-7-8-4-3-6-2-1-5-9(6)7/h1,5-6H,2-4H2,(H,8,10)
InChIKeyLTENIZBUMBQFDH-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The IUPAC name of 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (CID 141054236) is 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one.
What is the SMILES notation for 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The canonical SMILES for 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one is O=C1NCCC2CC=CN12.
What is the InChIKey of 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The InChIKey is LTENIZBUMBQFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-8-4-3-6-2-1-5-9(6)7/h1,5-6H,2-4H2,(H,8,10).
What are the key properties of 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,5-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 141054236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).