2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C10H20N2O — CID 142312917

IUPAC2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCN1CCN2CC(OC)CC2C1
InChIInChI=1S/C10H20N2O/c1-3-11-4-5-12-8-10(13-2)6-9(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyACYXWAOJGDDKAJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds2

About 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 142312917) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID142312917
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCN1CCN2CC(OC)CC2C1
InChIInChI=1S/C10H20N2O/c1-3-11-4-5-12-8-10(13-2)6-9(12)7-11/h9-10H,3-8H2,1-2H3
InChIKeyACYXWAOJGDDKAJ-UHFFFAOYSA-N
XLogP0.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

3-ethyl-1-(3-methoxycyclobutyl)azetidine
CID 164846581
(7R)-7-methoxy-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
CID 138719509
2-[(3-methylcyclobutyl)methyl]-7-propoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 167572525
1-(4-ethylpiperazine-1-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61191791
N-[(4-ethylpiperazin-1-yl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 171641186
7-ethyl-1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazine
CID 59534690
1-(3-ethoxycyclohexyl)-3-methoxyazetidine
CID 167008529
2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid
CID 106824270
4-ethyl-6-methoxy-1,4-oxazepane
CID 166543360
(9aS)-8-ethyl-2-methylsulfanyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 142537841
(3R,5S)-1-(3-methoxycyclobutyl)-3,5-dimethylpiperidine
CID 167562526
[1-(3-methoxycyclobutyl)-4-methylpiperidin-3-yl]methanamine
CID 106823035

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 142312917) is 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCN1CCN2CC(OC)CC2C1.
What is the InChIKey of 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is ACYXWAOJGDDKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-4-5-12-8-10(13-2)6-9(12)7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 184.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 142312917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).