(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C9H14N2 — CID 125477042

IUPAC(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc2n1[C@@H](C)CNC2
InChIInChI=1S/C9H14N2/c1-7-3-4-9-6-10-5-8(2)11(7)9/h3-4,8,10H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAWWVBXFQUZDWRN-QMMMGPOBSA-N
MW150.22 g/mol
LogP1.46
Rot. Bonds

About (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 125477042) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID125477042
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESCc1ccc2n1[C@@H](C)CNC2
InChIInChI=1S/C9H14N2/c1-7-3-4-9-6-10-5-8(2)11(7)9/h3-4,8,10H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyAWWVBXFQUZDWRN-QMMMGPOBSA-N
XLogP1.46
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
alpha-Nicotine
CID 212128
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207
Methyl(6-methyl-2-pyridylmethyl)amine
CID 81438
(6-Methylpyridin-2-yl)methanamine
CID 246721
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazine
CID 247631
(1,5-dimethyl-1H-pyrrol-2-yl)methanamine
CID 737232
(1S)-1-(pyridin-2-yl)ethan-1-amine
CID 1084917
1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 3159598
1H-Pyrrole, 1-ethyl-2,5-dimethyl-
CID 78741

Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 125477042) is (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Cc1ccc2n1[C@@H](C)CNC2.
What is the InChIKey of (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is AWWVBXFQUZDWRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-3-4-9-6-10-5-8(2)11(7)9/h3-4,8,10H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
(4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 150.22 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 125477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).