(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C23H34N2O — CID 124824404

IUPAC(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1/C=C/CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1
InChIInChI=1S/C23H34N2O/c1-26-22-14-6-5-9-19(22)12-7-16-25-18-17-24-15-8-13-21(24)23(25)20-10-3-2-4-11-20/h5-7,9,12,14,20-21,23H,2-4,8,10-11,13,15-18H2,1H3/b12-7+/t21-,23-/m0/s1
InChIKeyKQOOYNSRNGDGAQ-LQUGGUCVSA-N
MW354.54 g/mol
LogP4.44
Rot. Bonds5

About (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 124824404) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID124824404
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOc1ccccc1/C=C/CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1
InChIInChI=1S/C23H34N2O/c1-26-22-14-6-5-9-19(22)12-7-16-25-18-17-24-15-8-13-21(24)23(25)20-10-3-2-4-11-20/h5-7,9,12,14,20-21,23H,2-4,8,10-11,13,15-18H2,1H3/b12-7+/t21-,23-/m0/s1
InChIKeyKQOOYNSRNGDGAQ-LQUGGUCVSA-N
XLogP4.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(3R,8aR)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603759
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
(1R,8aR)-1-cyclohexyl-2-[(3,4-dimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124756500
(3aR,5R,6R,7aS)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-pyrrolidin-1-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172672073
(1S,8aS)-2-[(5-bromo-2-methoxyphenyl)methyl]-1-cyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124755214
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(1S,8aS)-1-cyclohexyl-2-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1353365
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
CID 167820392
(1R,8aS)-1-cyclohexyl-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124750464
1-cyclohexyl-2-(2-methyl-3-phenylprop-2-enyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 2867964
(3aR,5R,6R,7aS)-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-(4-methylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175645795

Frequently Asked Questions

What is the IUPAC name of (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 124824404) is (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COc1ccccc1/C=C/CN1CCN2CCC[C@H]2[C@@H]1C1CCCCC1.
What is the InChIKey of (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is KQOOYNSRNGDGAQ-LQUGGUCVSA-N. The full InChI is InChI=1S/C23H34N2O/c1-26-22-14-6-5-9-19(22)12-7-16-25-18-17-24-15-8-13-21(24)23(25)20-10-3-2-4-11-20/h5-7,9,12,14,20-21,23H,2-4,8,10-11,13,15-18H2,1H3/b12-7+/t21-,23-/m0/s1.
What are the key properties of (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 354.54 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aS)-1-cyclohexyl-2-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124824404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).