1,2,3,5-tetrahydroindolizine-7-carbonitrile

C9H10N2 — CID 67552848

IUPAC1,2,3,5-tetrahydroindolizine-7-carbonitrile
SMILESN#CC1=CCN2CCCC2=C1
InChIInChI=1S/C9H10N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h3,6H,1-2,4-5H2
InChIKeyBMNXNNHDHSWHOP-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.43
Rot. Bonds

About 1,2,3,5-tetrahydroindolizine-7-carbonitrile

1,2,3,5-tetrahydroindolizine-7-carbonitrile (PubChem CID 67552848) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1,2,3,5-tetrahydroindolizine-7-carbonitrile.

Molecular Properties

Compound Name1,2,3,5-tetrahydroindolizine-7-carbonitrile
PubChem CID67552848
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1,2,3,5-tetrahydroindolizine-7-carbonitrile
SMILESN#CC1=CCN2CCCC2=C1
InChIInChI=1S/C9H10N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h3,6H,1-2,4-5H2
InChIKeyBMNXNNHDHSWHOP-UHFFFAOYSA-N
XLogP1.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrahydroindolizine-7-carbonitrile?
The IUPAC name of 1,2,3,5-tetrahydroindolizine-7-carbonitrile (CID 67552848) is 1,2,3,5-tetrahydroindolizine-7-carbonitrile.
What is the SMILES notation for 1,2,3,5-tetrahydroindolizine-7-carbonitrile?
The canonical SMILES for 1,2,3,5-tetrahydroindolizine-7-carbonitrile is N#CC1=CCN2CCCC2=C1.
What is the InChIKey of 1,2,3,5-tetrahydroindolizine-7-carbonitrile?
The InChIKey is BMNXNNHDHSWHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c10-7-8-3-5-11-4-1-2-9(11)6-8/h3,6H,1-2,4-5H2.
What are the key properties of 1,2,3,5-tetrahydroindolizine-7-carbonitrile?
1,2,3,5-tetrahydroindolizine-7-carbonitrile has a molecular weight of 146.19 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrahydroindolizine-7-carbonitrile is sourced from PubChem (CID 67552848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).