(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one

C8H14N2O — CID 7247996

IUPAC(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESC[C@@]12CCC(=O)N1CCCN2
InChIInChI=1S/C8H14N2O/c1-8-4-3-7(11)10(8)6-2-5-9-8/h9H,2-6H2,1H3/t8-/m0/s1
InChIKeyOEGYKKRPXVDQFK-QMMMGPOBSA-N
MW154.21 g/mol
LogP0.32
Rot. Bonds

About (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one

(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 7247996) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
PubChem CID7247996
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESC[C@@]12CCC(=O)N1CCCN2
InChIInChI=1S/C8H14N2O/c1-8-4-3-7(11)10(8)6-2-5-9-8/h9H,2-6H2,1H3/t8-/m0/s1
InChIKeyOEGYKKRPXVDQFK-QMMMGPOBSA-N
XLogP0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
CID 3159946
8a-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one
CID 71683605
1-(4-hydroxypiperidin-4-yl)pyrrolidin-2-one;hydrochloride
CID 68754203
(8S)-8-methoxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 134715011
7a-(difluoromethyl)-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-5-one
CID 72942208
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
(7aR)-7a-methyl-2,3,6,7-tetrahydro-1H-pyrrolo[1,2-a]imidazol-1-ium-5-one
CID 6966193
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 114761889
(8S,8aR)-8a-methylspiro[2,5,6,7-tetrahydro-1H-indolizine-8,5'-furan]-2',3-dione
CID 102090862
1-(1-methylcyclopentyl)imidazolidin-2-one
CID 115370733
1-(1-iodocyclohexyl)pyrrolidin-2-one
CID 69102519
2-tert-butyl-2-methylpiperidin-3-one;hydrochloride
CID 115024376

Frequently Asked Questions

What is the IUPAC name of (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one (CID 7247996) is (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one is C[C@@]12CCC(=O)N1CCCN2.
What is the InChIKey of (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is OEGYKKRPXVDQFK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8-4-3-7(11)10(8)6-2-5-9-8/h9H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one?
(8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 154.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-8a-methyl-1,2,3,4,7,8-hexahydropyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 7247996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).