(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

C8H12N2O — CID 131064758

IUPAC(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
SMILESC[C@H]1C=C2CCCN2C(=O)N1
InChIInChI=1S/C8H12N2O/c1-6-5-7-3-2-4-10(7)8(11)9-6/h5-6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyKERCTKFMLLXEOU-LURJTMIESA-N
MW152.20 g/mol
LogP1.08
Rot. Bonds

About (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one

(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (PubChem CID 131064758) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
PubChem CID131064758
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one
SMILESC[C@H]1C=C2CCCN2C(=O)N1
InChIInChI=1S/C8H12N2O/c1-6-5-7-3-2-4-10(7)8(11)9-6/h5-6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1
InChIKeyKERCTKFMLLXEOU-LURJTMIESA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The IUPAC name of (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one (CID 131064758) is (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one.
What is the SMILES notation for (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The canonical SMILES for (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one is C[C@H]1C=C2CCCN2C(=O)N1.
What is the InChIKey of (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
The InChIKey is KERCTKFMLLXEOU-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-7-3-2-4-10(7)8(11)9-6/h5-6H,2-4H2,1H3,(H,9,11)/t6-/m0/s1.
What are the key properties of (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one?
(3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one has a molecular weight of 152.20 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidin-1-one is sourced from PubChem (CID 131064758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).