2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile

C11H12N2 — CID 166793211

IUPAC2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile
SMILESN#CC1=CCC2=C(C=C1)CNCC2
InChIInChI=1S/C11H12N2/c12-7-9-1-3-10-5-6-13-8-11(10)4-2-9/h1-2,4,13H,3,5-6,8H2
InChIKeyRIYSAJCDTYYYLR-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.69
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile

2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile (PubChem CID 166793211) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile
PubChem CID166793211
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile
SMILESN#CC1=CCC2=C(C=C1)CNCC2
InChIInChI=1S/C11H12N2/c12-7-9-1-3-10-5-6-13-8-11(10)4-2-9/h1-2,4,13H,3,5-6,8H2
InChIKeyRIYSAJCDTYYYLR-UHFFFAOYSA-N
XLogP1.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile?
The IUPAC name of 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile (CID 166793211) is 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile is N#CC1=CCC2=C(C=C1)CNCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile?
The InChIKey is RIYSAJCDTYYYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-7-9-1-3-10-5-6-13-8-11(10)4-2-9/h1-2,4,13H,3,5-6,8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile?
2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile has a molecular weight of 172.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-cyclohepta[c]pyridine-7-carbonitrile is sourced from PubChem (CID 166793211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).