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

C8H14N2 — CID 123170687

IUPAC4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=C1CNCC2CCCN12
InChIInChI=1S/C8H14N2/c1-7-5-9-6-8-3-2-4-10(7)8/h8-9H,1-6H2
InChIKeyFMVKCKKHMTVRRU-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.57
Rot. Bonds

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

4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 123170687) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID123170687
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC=C1CNCC2CCCN12
InChIInChI=1S/C8H14N2/c1-7-5-9-6-8-3-2-4-10(7)8/h8-9H,1-6H2
InChIKeyFMVKCKKHMTVRRU-UHFFFAOYSA-N
XLogP0.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 123170687) is 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C=C1CNCC2CCCN12.
What is the InChIKey of 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is FMVKCKKHMTVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-7-5-9-6-8-3-2-4-10(7)8/h8-9H,1-6H2.
What are the key properties of 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 138.21 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123170687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).