2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C11H20N2O — CID 115826067

IUPAC2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC1CC2CN(C3CCOC3)CCN2C1
InChIInChI=1S/C11H20N2O/c1-2-10-8-13(6-5-12(10)4-1)11-3-7-14-9-11/h10-11H,1-9H2
InChIKeyBAJMMXMSCWQVTK-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.56
Rot. Bonds1

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

2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 115826067) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID115826067
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC1CC2CN(C3CCOC3)CCN2C1
InChIInChI=1S/C11H20N2O/c1-2-10-8-13(6-5-12(10)4-1)11-3-7-14-9-11/h10-11H,1-9H2
InChIKeyBAJMMXMSCWQVTK-UHFFFAOYSA-N
XLogP0.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)oxan-4-amine
CID 79938355
1-methyl-4-(oxolan-3-yl)-1,4-diazepane
CID 143294368
4-chloro-1-(oxolan-3-yl)azepane
CID 130891419
1-(oxolan-3-yl)piperidine-3-carboxylic acid
CID 63557363
3-ethyl-2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826069
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
(8aS)-2-[(3S)-oxolan-3-yl]sulfonyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129461062
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
(3S)-1-(oxolan-3-yl)pyrrolidin-3-ol
CID 115277616
1-(oxolan-3-yl)-4-pyrrolidin-1-ylsulfonyl-1,4-diazepane
CID 131901038

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 115826067) is 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C1CC2CN(C3CCOC3)CCN2C1.
What is the InChIKey of 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is BAJMMXMSCWQVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-10-8-13(6-5-12(10)4-1)11-3-7-14-9-11/h10-11H,1-9H2.
What are the key properties of 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 196.29 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 115826067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).