(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

C18H26N2O — CID 92603759

IUPAC(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
SMILESCOc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@H]1C
InChIInChI=1S/C18H26N2O/c1-15-13-20-12-6-9-17(20)14-19(15)11-5-8-16-7-3-4-10-18(16)21-2/h3-5,7-8,10,15,17H,6,9,11-14H2,1-2H3/b8-5+/t15-,17-/m1/s1
InChIKeyGSCZTLGLYFMIST-XNHCWWPPSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds4

About (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

(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 (PubChem CID 92603759) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID92603759
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(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
SMILESCOc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@H]1C
InChIInChI=1S/C18H26N2O/c1-15-13-20-12-6-9-17(20)14-19(15)11-5-8-16-7-3-4-10-18(16)21-2/h3-5,7-8,10,15,17H,6,9,11-14H2,1-2H3/b8-5+/t15-,17-/m1/s1
InChIKeyGSCZTLGLYFMIST-XNHCWWPPSA-N
XLogP2.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(3R)-2-[3-(4-methoxyphenyl)prop-2-enyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 171320323
(3R)-2-[(2-methoxyphenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211253
(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
(2R)-1-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azetidin-3-yl]-2-methylpiperidine
CID 95707927
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
4-methoxy-3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]aniline
CID 79941103
(3S,8aR)-3-methyl-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792133
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
(3S,8aS)-3-methyl-2-[(2-prop-2-enoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92604028
3-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-2-yl]-1,2-oxazole
CID 167820392
(3R)-3-methyl-2-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211284
(3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxamide
CID 30981483

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccccc1/C=C/CN1C[C@H]2CCCN2C[C@H]1C.
What is the InChIKey of (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?
The InChIKey is GSCZTLGLYFMIST-XNHCWWPPSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-13-20-12-6-9-17(20)14-19(15)11-5-8-16-7-3-4-10-18(16)21-2/h3-5,7-8,10,15,17H,6,9,11-14H2,1-2H3/b8-5+/t15-,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 286.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 92603759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).