(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C11H22N2 — CID 66523127

IUPAC(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)[C@H]1CN2CCCC2CN1
InChIInChI=1S/C11H22N2/c1-11(2,3)10-8-13-6-4-5-9(13)7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyZOFVPYVMEVJPGS-QVDQXJPCSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds

About (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 66523127) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID66523127
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)[C@H]1CN2CCCC2CN1
InChIInChI=1S/C11H22N2/c1-11(2,3)10-8-13-6-4-5-9(13)7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1
InChIKeyZOFVPYVMEVJPGS-QVDQXJPCSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-(3-tert-butyl-1,4-diazepan-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65470541
(8aS)-3-ethyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 166931143
2,5-ditert-butyl-1-cyclohexylpiperazine
CID 82937382
5-tert-butyl-1-(1-cyclopropylpyrrolidin-3-yl)-2-methylpiperazine
CID 64946733
3-(chloromethyl)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 130774969
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66927099
3-tert-butyl-1-(thiolan-3-yl)piperazine
CID 103065002
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616
methyl (3R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
CID 10583633
3-(3-tert-butyl-1,4-diazepan-1-yl)-1-azabicyclo[2.2.2]octane
CID 64945073
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
(3R)-3-methyl-1-[(3S)-piperidin-3-yl]piperidine
CID 124559640

Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 66523127) is (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is CC(C)(C)[C@H]1CN2CCCC2CN1.
What is the InChIKey of (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is ZOFVPYVMEVJPGS-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)10-8-13-6-4-5-9(13)7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
(3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 66523127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).