2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C10H11ClN2O2 — CID 83892714

IUPAC2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)Cc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C10H11ClN2O2/c1-6(14)5-7-9(11)12-8-3-2-4-13(8)10(7)15/h2-5H2,1H3
InChIKeyGNOAKQUASQKVGA-UHFFFAOYSA-N
MW226.66 g/mol
LogP0.97
Rot. Bonds2

About 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83892714) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83892714
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)Cc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C10H11ClN2O2/c1-6(14)5-7-9(11)12-8-3-2-4-13(8)10(7)15/h2-5H2,1H3
InChIKeyGNOAKQUASQKVGA-UHFFFAOYSA-N
XLogP0.97
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl)acetaldehyde
CID 83885894
3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83885895
3-(3-aminopropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893065
3-(2-aminopropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893067
2-Chloro-3-(2-oxopropyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83898980

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83892714) is 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC(=O)Cc1c(Cl)nc2n(c1=O)CCC2.
What is the InChIKey of 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is GNOAKQUASQKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6(14)5-7-9(11)12-8-3-2-4-13(8)10(7)15/h2-5H2,1H3.
What are the key properties of 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 226.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83892714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).