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

C14H16N2 — CID 2049356

IUPAC(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc([C@@H]2NCCn3cccc32)cc1
InChIInChI=1S/C14H16N2/c1-11-4-6-12(7-5-11)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m0/s1
InChIKeyJIDRGEGDAHDJFW-AWEZNQCLSA-N
MW212.30 g/mol
LogP2.49
Rot. Bonds1

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

(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 2049356) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID2049356
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc([C@@H]2NCCn3cccc32)cc1
InChIInChI=1S/C14H16N2/c1-11-4-6-12(7-5-11)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m0/s1
InChIKeyJIDRGEGDAHDJFW-AWEZNQCLSA-N
XLogP2.49
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 2049356) is (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Cc1ccc([C@@H]2NCCn3cccc32)cc1.
What is the InChIKey of (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is JIDRGEGDAHDJFW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16N2/c1-11-4-6-12(7-5-11)14-13-3-2-9-16(13)10-8-15-14/h2-7,9,14-15H,8,10H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 212.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methylphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 2049356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).