3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile

C12H12N2 — CID 175354950

IUPAC3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile
SMILESC=C(C)C1=NCC2=C(C#N)CCC2=C1
InChIInChI=1S/C12H12N2/c1-8(2)12-5-9-3-4-10(6-13)11(9)7-14-12/h5H,1,3-4,7H2,2H3
InChIKeyOCURGGLZXSDMIM-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.56
Rot. Bonds1

About 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile

3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile (PubChem CID 175354950) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile
PubChem CID175354950
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile
SMILESC=C(C)C1=NCC2=C(C#N)CCC2=C1
InChIInChI=1S/C12H12N2/c1-8(2)12-5-9-3-4-10(6-13)11(9)7-14-12/h5H,1,3-4,7H2,2H3
InChIKeyOCURGGLZXSDMIM-UHFFFAOYSA-N
XLogP2.56
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile?
The IUPAC name of 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile (CID 175354950) is 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile.
What is the SMILES notation for 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile?
The canonical SMILES for 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile is C=C(C)C1=NCC2=C(C#N)CCC2=C1.
What is the InChIKey of 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile?
The InChIKey is OCURGGLZXSDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-8(2)12-5-9-3-4-10(6-13)11(9)7-14-12/h5H,1,3-4,7H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile?
3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-5,6-dihydro-1H-cyclopenta[c]pyridine-7-carbonitrile is sourced from PubChem (CID 175354950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).