(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C14H16N2O — CID 826742

IUPAC(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1ccc([C@H]2NCCn3cccc32)cc1
InChIInChI=1S/C14H16N2O/c1-17-12-6-4-11(5-7-12)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m1/s1
InChIKeyBHUFGJNASUNOHC-CQSZACIVSA-N
MW228.30 g/mol
LogP2.19
Rot. Bonds2

About (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 826742) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID826742
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCOc1ccc([C@H]2NCCn3cccc32)cc1
InChIInChI=1S/C14H16N2O/c1-17-12-6-4-11(5-7-12)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m1/s1
InChIKeyBHUFGJNASUNOHC-CQSZACIVSA-N
XLogP2.19
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42656257
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049356
1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2770920
1-(4-tert-butylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 25215501
1-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 82300465
(1S)-1-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 2049384
1-[4-(trifluoromethoxy)phenyl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 25215730
1-(4-phenylmethoxyphenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 42739805
(1R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387055
(1S)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 7387056
(1S)-N-ethyl-1-(4-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 41098530
1-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 46036755

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 826742) is (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is COc1ccc([C@H]2NCCn3cccc32)cc1.
What is the InChIKey of (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is BHUFGJNASUNOHC-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16N2O/c1-17-12-6-4-11(5-7-12)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 228.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 826742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).