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

C9H12N2O2 — CID 135703668

IUPAC3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCc1c(O)nc2n(c1=O)CCC2
InChIInChI=1S/C9H12N2O2/c1-2-6-8(12)10-7-4-3-5-11(7)9(6)13/h12H,2-5H2,1H3
InChIKeyXKVTTWQEPJDBKX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.46
Rot. Bonds1

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

3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 135703668) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID135703668
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCc1c(O)nc2n(c1=O)CCC2
InChIInChI=1S/C9H12N2O2/c1-2-6-8(12)10-7-4-3-5-11(7)9(6)13/h12H,2-5H2,1H3
InChIKeyXKVTTWQEPJDBKX-UHFFFAOYSA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 135703668) is 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CCc1c(O)nc2n(c1=O)CCC2.
What is the InChIKey of 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is XKVTTWQEPJDBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-8(12)10-7-4-3-5-11(7)9(6)13/h12H,2-5H2,1H3.
What are the key properties of 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135703668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).