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

C14H22N2O — CID 79939766

IUPAC2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(Cc1ccco1)N1CCN2CCCC2C1
InChIInChI=1S/C14H22N2O/c1-12(10-14-5-3-9-17-14)16-8-7-15-6-2-4-13(15)11-16/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3
InChIKeyIQXXEWKVXFFSCE-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.99
Rot. Bonds3

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

2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79939766) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79939766
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(Cc1ccco1)N1CCN2CCCC2C1
InChIInChI=1S/C14H22N2O/c1-12(10-14-5-3-9-17-14)16-8-7-15-6-2-4-13(15)11-16/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3
InChIKeyIQXXEWKVXFFSCE-UHFFFAOYSA-N
XLogP1.99
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
3-[1-[1-(furan-2-yl)propan-2-yl]piperidin-3-yl]butanoic acid
CID 81046243
1-[1-(furan-2-yl)propan-2-yl]-N,3-dimethylpiperidin-4-amine
CID 54975952
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(furan-2-yl)propan-2-amine
CID 79931767
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)ethanamine
CID 79931766
1-[1-[1-(furan-2-yl)propan-2-yl]piperidin-4-yl]-N-methylmethanamine
CID 63250602
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(furan-2-yl)propan-2-amine
CID 79078659
2-(furan-2-ylmethyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926203
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanamine
CID 83182354
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(furan-2-yl)ethanol
CID 83174692

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79939766) is 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CC(Cc1ccco1)N1CCN2CCCC2C1.
What is the InChIKey of 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is IQXXEWKVXFFSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(10-14-5-3-9-17-14)16-8-7-15-6-2-4-13(15)11-16/h3,5,9,12-13H,2,4,6-8,10-11H2,1H3.
What are the key properties of 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 234.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propan-2-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79939766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).