1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one

C14H26N2O2 — CID 89475397

IUPAC1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CC2CN(C(=O)C(C)(C)OC)CCN2C1
InChIInChI=1S/C14H26N2O2/c1-5-11-8-12-10-16(7-6-15(12)9-11)13(17)14(2,3)18-4/h11-12H,5-10H2,1-4H3
InChIKeyDGNWNJNCSINJTN-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds3

About 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one

1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 89475397) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID89475397
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one
SMILESCCC1CC2CN(C(=O)C(C)(C)OC)CCN2C1
InChIInChI=1S/C14H26N2O2/c1-5-11-8-12-10-16(7-6-15(12)9-11)13(17)14(2,3)18-4/h11-12H,5-10H2,1-4H3
InChIKeyDGNWNJNCSINJTN-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one (CID 89475397) is 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one is CCC1CC2CN(C(=O)C(C)(C)OC)CCN2C1.
What is the InChIKey of 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is DGNWNJNCSINJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11-8-12-10-16(7-6-15(12)9-11)13(17)14(2,3)18-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one?
1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 89475397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).