2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C14H22N2O2 — CID 53016714

IUPAC2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCOCC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)14-12-6-5-11(3)15(12)7-8-16(14)13(17)9-18-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyODMNMMZOGHEJRV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.98
Rot. Bonds3

About 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 53016714) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID53016714
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCOCC(=O)N1CCn2c(C)ccc2C1C(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)14-12-6-5-11(3)15(12)7-8-16(14)13(17)9-18-4/h5-6,10,14H,7-9H2,1-4H3
InChIKeyODMNMMZOGHEJRV-UHFFFAOYSA-N
XLogP1.98
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 53016714) is 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is COCC(=O)N1CCn2c(C)ccc2C1C(C)C.
What is the InChIKey of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is ODMNMMZOGHEJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)14-12-6-5-11(3)15(12)7-8-16(14)13(17)9-18-4/h5-6,10,14H,7-9H2,1-4H3.
What are the key properties of 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 250.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 53016714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).