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

C14H24N2O — CID 79945871

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCN2CCCC2C1
InChIInChI=1S/C14H24N2O/c17-14-6-2-1-4-12(14)10-15-8-9-16-7-3-5-13(16)11-15/h12-13H,1-11H2
InChIKeyKGWSVRCFPVPWEP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.53
Rot. Bonds2

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one (PubChem CID 79945871) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one
PubChem CID79945871
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCN2CCCC2C1
InChIInChI=1S/C14H24N2O/c17-14-6-2-1-4-12(14)10-15-8-9-16-7-3-5-13(16)11-15/h12-13H,1-11H2
InChIKeyKGWSVRCFPVPWEP-UHFFFAOYSA-N
XLogP1.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cycloheptan-1-one
CID 63171156
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-tert-butylcyclohexan-1-one
CID 79933623
2-(azetidin-1-ylmethyl)cycloheptan-1-one
CID 130548358
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 62615095
2-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 55133325
2-[(3-methoxypiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966895
2-(1,2,5-dithiazepan-5-ylmethyl)cyclohexan-1-one
CID 131154504
2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 63624486
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612244
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 63007742
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929794

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one?
The IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one (CID 79945871) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one is O=C1CCCCC1CN1CCN2CCCC2C1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one?
The InChIKey is KGWSVRCFPVPWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-14-6-2-1-4-12(14)10-15-8-9-16-7-3-5-13(16)11-15/h12-13H,1-11H2.
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)cyclohexan-1-one is sourced from PubChem (CID 79945871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).