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

C16H28N2O — CID 79945244

IUPAC4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC3CCCN3CC2C)C1
InChIInChI=1S/C16H28N2O/c1-12-5-6-16(19)14(8-12)10-18-11-15-4-3-7-17(15)9-13(18)2/h12-15H,3-11H2,1-2H3
InChIKeyARRRQMTZSORAPV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.16
Rot. Bonds2

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

4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one (PubChem CID 79945244) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one
PubChem CID79945244
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CC3CCCN3CC2C)C1
InChIInChI=1S/C16H28N2O/c1-12-5-6-16(19)14(8-12)10-18-11-15-4-3-7-17(15)9-13(18)2/h12-15H,3-11H2,1-2H3
InChIKeyARRRQMTZSORAPV-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612244
4-methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 62612861
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
2-[(2-ethylazepan-1-yl)methyl]-4-methylcyclohexan-1-one
CID 104691871
2-[(4-ethylcyclohexyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939317
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 113252406
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 79943398
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930206
4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
CID 63171111
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612344
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-one
CID 79943883
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanol
CID 115824235

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one (CID 79945244) is 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CC3CCCN3CC2C)C1.
What is the InChIKey of 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one?
The InChIKey is ARRRQMTZSORAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-5-6-16(19)14(8-12)10-18-11-15-4-3-7-17(15)9-13(18)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 79945244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).