4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C11H20N2 — CID 130708421

IUPAC4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCN1CC(C)N2CCCC2C1
InChIInChI=1S/C11H20N2/c1-3-6-12-8-10(2)13-7-4-5-11(13)9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyNFZIWSFGUYGFLG-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.34
Rot. Bonds2

About 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 130708421) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID130708421
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=CCN1CC(C)N2CCCC2C1
InChIInChI=1S/C11H20N2/c1-3-6-12-8-10(2)13-7-4-5-11(13)9-12/h3,10-11H,1,4-9H2,2H3
InChIKeyNFZIWSFGUYGFLG-UHFFFAOYSA-N
XLogP1.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 130820559
(3S)-3-methyl-1-prop-2-enylpyrrolidine
CID 142074687
2,4-dimethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130644992
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
(5R,9aR)-5-methyl-2,3,5,6,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a]azepine
CID 15656831
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155
ethane;5-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 167500332
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
1-(1-ethylpiperidin-3-yl)-N,2-dimethylpiperidin-4-amine
CID 54976539
1-prop-2-enylpyrrolidine-3,4-diol
CID 72779960
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 130708421) is 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C=CCN1CC(C)N2CCCC2C1.
What is the InChIKey of 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is NFZIWSFGUYGFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-6-12-8-10(2)13-7-4-5-11(13)9-12/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 180.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 130708421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).