1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone

C12H18N2O2 — CID 60724893

IUPAC1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11-10(2)14(7-6-13(9)11)12(15)8-16-3/h4-5,10H,6-8H2,1-3H3
InChIKeyKRKIRKHFSQKFME-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.35
Rot. Bonds2

About 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone

1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone (PubChem CID 60724893) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
PubChem CID60724893
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCn2c(C)ccc2C1C
InChIInChI=1S/C12H18N2O2/c1-9-4-5-11-10(2)14(7-6-13(9)11)12(15)8-16-3/h4-5,10H,6-8H2,1-3H3
InChIKeyKRKIRKHFSQKFME-UHFFFAOYSA-N
XLogP1.35
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 60628219
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 65417599
2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 53016714
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)propan-1-one
CID 55121527
6-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
CID 54869090
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 60937207
1-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 95136428
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-phenylmethanone
CID 60628235
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 61147289
(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(2H-triazol-4-yl)methanone
CID 79806177
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 62852555
(2S)-2-amino-1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
CID 107144351

Frequently Asked Questions

What is the IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone?
The IUPAC name of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone (CID 60724893) is 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone?
The canonical SMILES for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone is COCC(=O)N1CCn2c(C)ccc2C1C.
What is the InChIKey of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone?
The InChIKey is KRKIRKHFSQKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-11-10(2)14(7-6-13(9)11)12(15)8-16-3/h4-5,10H,6-8H2,1-3H3.
What are the key properties of 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone?
1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone has a molecular weight of 222.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyethanone is sourced from PubChem (CID 60724893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).