1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

C10H16N2 — CID 12013445

IUPAC1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
SMILESCC1CCN2CCC(C)C12C#N
InChIInChI=1S/C10H16N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-6H2,1-2H3
InChIKeyGLMAQEZFKHXEBS-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.63
Rot. Bonds

About 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile

1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile (PubChem CID 12013445) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile.

Molecular Properties

Compound Name1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
PubChem CID12013445
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
SMILESCC1CCN2CCC(C)C12C#N
InChIInChI=1S/C10H16N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-6H2,1-2H3
InChIKeyGLMAQEZFKHXEBS-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The IUPAC name of 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile (CID 12013445) is 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile.
What is the SMILES notation for 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The canonical SMILES for 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile is CC1CCN2CCC(C)C12C#N.
What is the InChIKey of 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
The InChIKey is GLMAQEZFKHXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-3-5-12-6-4-9(2)10(8,12)7-11/h8-9H,3-6H2,1-2H3.
What are the key properties of 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile?
1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile is sourced from PubChem (CID 12013445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).