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

C7H7ClN2O — CID 83816236

IUPAC2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2n1CCC2
InChIInChI=1S/C7H7ClN2O/c8-5-4-7(11)10-3-1-2-6(10)9-5/h4H,1-3H2
InChIKeyBYTTZSUNKZOFAQ-UHFFFAOYSA-N
MW170.60 g/mol
LogP0.84
Rot. Bonds

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

2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83816236) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83816236
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(Cl)nc2n1CCC2
InChIInChI=1S/C7H7ClN2O/c8-5-4-7(11)10-3-1-2-6(10)9-5/h4H,1-3H2
InChIKeyBYTTZSUNKZOFAQ-UHFFFAOYSA-N
XLogP0.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83816236) is 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1cc(Cl)nc2n1CCC2.
What is the InChIKey of 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is BYTTZSUNKZOFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O/c8-5-4-7(11)10-3-1-2-6(10)9-5/h4H,1-3H2.
What are the key properties of 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 170.60 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).