(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one

C10H17N3O — CID 68778759

IUPAC(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one
SMILESO=C1C[C@@H]2CCN(C3CNC3)CN2C1
InChIInChI=1S/C10H17N3O/c14-10-3-8-1-2-12(7-13(8)6-10)9-4-11-5-9/h8-9,11H,1-7H2/t8-/m0/s1
InChIKeyCGMLGKWSAJKGAU-QMMMGPOBSA-N
MW195.27 g/mol
LogP-0.74
Rot. Bonds1

About (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one

(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one (PubChem CID 68778759) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one.

Molecular Properties

Compound Name(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one
PubChem CID68778759
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one
SMILESO=C1C[C@@H]2CCN(C3CNC3)CN2C1
InChIInChI=1S/C10H17N3O/c14-10-3-8-1-2-12(7-13(8)6-10)9-4-11-5-9/h8-9,11H,1-7H2/t8-/m0/s1
InChIKeyCGMLGKWSAJKGAU-QMMMGPOBSA-N
XLogP-0.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one?
The IUPAC name of (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one (CID 68778759) is (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one.
What is the SMILES notation for (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one?
The canonical SMILES for (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one is O=C1C[C@@H]2CCN(C3CNC3)CN2C1.
What is the InChIKey of (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one?
The InChIKey is CGMLGKWSAJKGAU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-3-8-1-2-12(7-13(8)6-10)9-4-11-5-9/h8-9,11H,1-7H2/t8-/m0/s1.
What are the key properties of (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one?
(4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS)-2-(azetidin-3-yl)-1,3,4,4a,5,7-hexahydropyrrolo[1,2-c]pyrimidin-6-one is sourced from PubChem (CID 68778759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).