1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one

C12H20N2O2 — CID 20589308

IUPAC1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESCC(=O)N1CC(C)(C)CN2C(=O)CCC12C
InChIInChI=1S/C12H20N2O2/c1-9(15)13-7-11(2,3)8-14-10(16)5-6-12(13,14)4/h5-8H2,1-4H3
InChIKeyKLDWDEZRFSCUJK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds

About 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one

1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one (PubChem CID 20589308) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
PubChem CID20589308
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
SMILESCC(=O)N1CC(C)(C)CN2C(=O)CCC12C
InChIInChI=1S/C12H20N2O2/c1-9(15)13-7-11(2,3)8-14-10(16)5-6-12(13,14)4/h5-8H2,1-4H3
InChIKeyKLDWDEZRFSCUJK-UHFFFAOYSA-N
XLogP1.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dicyclonon
CID 115203
2,2-Dichloro-1-(3,3,6-trimethyl-9-oxo-1,5-diazabicyclo[4.3.0]nonan-5-yl)ethanone
CID 12923524
2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione
CID 395093
8a-methylhexahydropyrrolo[1,2-a]pyrimidin-6(2H)-one
CID 3161164
Racemic 3,3,6-trimethyl-9-oxo-1,5-diazabicyclo[4.3.0]nonane
CID 13923243
(8aR)-1-(2,2-dichloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
CID 12923523
(8aS)-3,3,8a-trimethyl-2,4,7,8-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13923244
(8aR)-3,3,8a-trimethyl-2,4,7,8-tetrahydro-1H-pyrrolo[1,2-a]pyrimidin-6-one
CID 13923245
2-ethyl-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidine-1,3-dione
CID 61372322
1-(2-Chloropropanoyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
CID 68272399
1-Acetyl-2,4-dichloro-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
CID 69199789
1-(2-Chloroacetyl)-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one
CID 69858722

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one?
The IUPAC name of 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one (CID 20589308) is 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one?
The canonical SMILES for 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one is CC(=O)N1CC(C)(C)CN2C(=O)CCC12C.
What is the InChIKey of 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one?
The InChIKey is KLDWDEZRFSCUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(15)13-7-11(2,3)8-14-10(16)5-6-12(13,14)4/h5-8H2,1-4H3.
What are the key properties of 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one?
1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one has a molecular weight of 224.30 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,3,8a-trimethyl-2,4,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 20589308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).