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

C9H12N2O — CID 176962970

IUPAC6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC1CCc2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-2-7-3-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3
InChIKeyYIWIWRRJNYWSDA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.14
Rot. Bonds1

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

6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 176962970) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID176962970
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCCC1CCc2nccc(=O)n21
InChIInChI=1S/C9H12N2O/c1-2-7-3-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3
InChIKeyYIWIWRRJNYWSDA-UHFFFAOYSA-N
XLogP1.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 13149276
7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 15263479
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
CID 58125066
CID 58125066
6-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58125140
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58681908
(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 93500089
6-propanoyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 117661814
(6S)-6-acetyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 117971401

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 176962970) is 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CCC1CCc2nccc(=O)n21.
What is the InChIKey of 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is YIWIWRRJNYWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-7-3-4-8-10-6-5-9(12)11(7)8/h5-7H,2-4H2,1H3.
What are the key properties of 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176962970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).