3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile

C8H10N2 — CID 13380464

IUPAC3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile
SMILESN#CC1=NC2CCCC2C1
InChIInChI=1S/C8H10N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2
InChIKeyMGVJLUFDLLBNLT-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.52
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile

3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile (PubChem CID 13380464) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile
PubChem CID13380464
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile
SMILESN#CC1=NC2CCCC2C1
InChIInChI=1S/C8H10N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2
InChIKeyMGVJLUFDLLBNLT-UHFFFAOYSA-N
XLogP1.52
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile?
The IUPAC name of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile (CID 13380464) is 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile is N#CC1=NC2CCCC2C1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile?
The InChIKey is MGVJLUFDLLBNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6,8H,1-4H2.
What are the key properties of 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile?
3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile has a molecular weight of 134.18 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-2-carbonitrile is sourced from PubChem (CID 13380464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).