4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one

C10H17N3O2 — CID 58850058

IUPAC4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCNC1CC2NCCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H17N3O2/c1-6(14)8-3-4-12-9-5-7(11-2)10(15)13(8)9/h7-9,11-12H,3-5H2,1-2H3
InChIKeyPSDFHPPPCJKHND-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.92
Rot. Bonds2

About 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one

4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 58850058) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
PubChem CID58850058
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
SMILESCNC1CC2NCCC(C(C)=O)N2C1=O
InChIInChI=1S/C10H17N3O2/c1-6(14)8-3-4-12-9-5-7(11-2)10(15)13(8)9/h7-9,11-12H,3-5H2,1-2H3
InChIKeyPSDFHPPPCJKHND-UHFFFAOYSA-N
XLogP-0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one (CID 58850058) is 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is CNC1CC2NCCC(C(C)=O)N2C1=O.
What is the InChIKey of 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is PSDFHPPPCJKHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-6(14)8-3-4-12-9-5-7(11-2)10(15)13(8)9/h7-9,11-12H,3-5H2,1-2H3.
What are the key properties of 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one?
4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 211.26 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-7-(methylamino)-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 58850058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).