6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile

C13H14N2O — CID 10632424

IUPAC6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile
SMILESCC1(C)C(=O)c2cc(C#N)ncc2C1(C)C
InChIInChI=1S/C13H14N2O/c1-12(2)10-7-15-8(6-14)5-9(10)11(16)13(12,3)4/h5,7H,1-4H3
InChIKeyINAPQFNJASBNQI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.45
Rot. Bonds

About 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile

6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile (PubChem CID 10632424) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile
PubChem CID10632424
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile
SMILESCC1(C)C(=O)c2cc(C#N)ncc2C1(C)C
InChIInChI=1S/C13H14N2O/c1-12(2)10-7-15-8(6-14)5-9(10)11(16)13(12,3)4/h5,7H,1-4H3
InChIKeyINAPQFNJASBNQI-UHFFFAOYSA-N
XLogP2.45
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile?
The IUPAC name of 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile (CID 10632424) is 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile.
What is the SMILES notation for 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile?
The canonical SMILES for 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile is CC1(C)C(=O)c2cc(C#N)ncc2C1(C)C.
What is the InChIKey of 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile?
The InChIKey is INAPQFNJASBNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-12(2)10-7-15-8(6-14)5-9(10)11(16)13(12,3)4/h5,7H,1-4H3.
What are the key properties of 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile?
6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7-tetramethyl-5-oxocyclopenta[c]pyridine-3-carbonitrile is sourced from PubChem (CID 10632424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).