1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C23H34N2 — CID 2867964

IUPAC1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(=Cc1ccccc1)CN1CCN2CCCC2C1C1CCCCC1
InChIInChI=1S/C23H34N2/c1-19(17-20-9-4-2-5-10-20)18-25-16-15-24-14-8-13-22(24)23(25)21-11-6-3-7-12-21/h2,4-5,9-10,17,21-23H,3,6-8,11-16,18H2,1H3
InChIKeyCXCQNUVBQHLPCJ-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.82
Rot. Bonds4

About 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 2867964) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID2867964
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(=Cc1ccccc1)CN1CCN2CCCC2C1C1CCCCC1
InChIInChI=1S/C23H34N2/c1-19(17-20-9-4-2-5-10-20)18-25-16-15-24-14-8-13-22(24)23(25)21-11-6-3-7-12-21/h2,4-5,9-10,17,21-23H,3,6-8,11-16,18H2,1H3
InChIKeyCXCQNUVBQHLPCJ-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 2867964) is 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(=Cc1ccccc1)CN1CCN2CCCC2C1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is CXCQNUVBQHLPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-19(17-20-9-4-2-5-10-20)18-25-16-15-24-14-8-13-22(24)23(25)21-11-6-3-7-12-21/h2,4-5,9-10,17,21-23H,3,6-8,11-16,18H2,1H3.
What are the key properties of 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 338.54 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2867964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).