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

C7H10N2O — CID 6423011

IUPAC3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C1CCN=C2CCCN12
InChIInChI=1S/C7H10N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h1-5H2
InChIKeyNUCWQHUYDFGVQH-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.41
Rot. Bonds

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

3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 6423011) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID6423011
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=C1CCN=C2CCCN12
InChIInChI=1S/C7H10N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h1-5H2
InChIKeyNUCWQHUYDFGVQH-UHFFFAOYSA-N
XLogP0.41
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Dimethyl-4,5-dihydropyrimidin-6-one
CID 20707762
1-Methyl-2-propyl-4,5-dihydropyrimidin-6-one
CID 20707765
1-Ethyl-2-methyl-4,5-dihydropyrimidin-6-one
CID 21720732
1-(2-Methyliminopyrrolidin-1-yl)ethanone
CID 21721023
N,N-dimethylacetamide;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 71225911
3,4,7,8-Tetrahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
CID 71328389
2-methyl-3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21766552
3-methyl-4,6,7,8-tetrahydro-3H-pyrrolo[1,2-a]pyrimidin-2-one
CID 21766557
3-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidine-2,4(3H,6H)-dione
CID 91990269
3,4,7,8-Tetrahydropyrrolo[1,2-a]pyrimidin-2(6H)-one
CID 92020734

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one (CID 6423011) is 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one is O=C1CCN=C2CCCN12.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is NUCWQHUYDFGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-7-3-4-8-6-2-1-5-9(6)7/h1-5H2.
What are the key properties of 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one?
3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 138.17 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetrahydro-2H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 6423011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).