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

C11H16N2O — CID 15620865

IUPAC3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC(C)c1cnc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-3-8(2)9-7-12-10-5-4-6-13(10)11(9)14/h7-8H,3-6H2,1-2H3
InChIKeyAMFPSCAQXJFPMO-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.70
Rot. Bonds2

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

3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 15620865) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID15620865
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC(C)c1cnc2n(c1=O)CCC2
InChIInChI=1S/C11H16N2O/c1-3-8(2)9-7-12-10-5-4-6-13(10)11(9)14/h7-8H,3-6H2,1-2H3
InChIKeyAMFPSCAQXJFPMO-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 15620865) is 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CCC(C)c1cnc2n(c1=O)CCC2.
What is the InChIKey of 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is AMFPSCAQXJFPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-8(2)9-7-12-10-5-4-6-13(10)11(9)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 15620865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).