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

C9H9ClN2O2 — CID 83885895

IUPAC3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C9H9ClN2O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4H2,1H3
InChIKeyINTHBKXDHOWKQK-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.05
Rot. Bonds1

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

3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83885895) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83885895
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(=O)c1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C9H9ClN2O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4H2,1H3
InChIKeyINTHBKXDHOWKQK-UHFFFAOYSA-N
XLogP1.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-2-amino-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 601119
3-Acetyl-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83892713
2-chloro-3-(2-oxopropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83892714
3-ethyl-2-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 135703668

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83885895) is 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC(=O)c1c(Cl)nc2n(c1=O)CCC2.
What is the InChIKey of 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is INTHBKXDHOWKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5(13)7-8(10)11-6-3-2-4-12(6)9(7)14/h2-4H2,1H3.
What are the key properties of 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 212.64 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83885895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).