(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C11H22N2 — CID 118230703

IUPAC(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2C[C@H](C)C[C@H]2C1
InChIInChI=1S/C11H22N2/c1-9(2)12-4-5-13-7-10(3)6-11(13)8-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyQZAWPDFVLPLTNL-MNOVXSKESA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds1

About (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 118230703) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID118230703
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2C[C@H](C)C[C@H]2C1
InChIInChI=1S/C11H22N2/c1-9(2)12-4-5-13-7-10(3)6-11(13)8-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1
InChIKeyQZAWPDFVLPLTNL-MNOVXSKESA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
(7R)-7-[(1R)-1-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 135213268
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
2-methylsulfonyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 142444574
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
7-[(2R)-2-[4-(oxetan-3-yl)piperazin-1-yl]propyl]-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 135213361
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-[(2S,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-4-propan-2-ylpiperazine
CID 166864352
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 118230703) is (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)N1CCN2C[C@H](C)C[C@H]2C1.
What is the InChIKey of (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is QZAWPDFVLPLTNL-MNOVXSKESA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-4-5-13-7-10(3)6-11(13)8-12/h9-11H,4-8H2,1-3H3/t10-,11+/m1/s1.
What are the key properties of (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-methyl-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 118230703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).