(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C16H20N2O3 — CID 2049384

IUPAC(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1cc([C@@H]2NCCn3cccc32)cc(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-13-9-11(10-14(20-2)16(13)21-3)15-12-5-4-7-18(12)8-6-17-15/h4-5,7,9-10,15,17H,6,8H2,1-3H3/t15-/m0/s1
InChIKeyLCMFCXIQZPMJCR-HNNXBMFYSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

About (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 2049384) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID2049384
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1cc([C@@H]2NCCn3cccc32)cc(OC)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-13-9-11(10-14(20-2)16(13)21-3)15-12-5-4-7-18(12)8-6-17-15/h4-5,7,9-10,15,17H,6,8H2,1-3H3/t15-/m0/s1
InChIKeyLCMFCXIQZPMJCR-HNNXBMFYSA-N
XLogP2.21
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2770920
(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-2-ium
CID 2049383
(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 826742
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049356
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 25215501
1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42656257
(1R)-2-benzyl-1-(3,4,5-trimethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 93323839
N-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 3365228
(1S)-1-thiophen-2-yl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049370
4-[[1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]morpholine
CID 43994419
N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16803453
(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546920

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 2049384) is (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is COc1cc([C@@H]2NCCn3cccc32)cc(OC)c1OC.
What is the InChIKey of (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is LCMFCXIQZPMJCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-13-9-11(10-14(20-2)16(13)21-3)15-12-5-4-7-18(12)8-6-17-15/h4-5,7,9-10,15,17H,6,8H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2049384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).