6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile

C9H9N3O — CID 163914109

IUPAC6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
SMILESN#CC1(N)Cc2cc[nH]c(=O)c2C1
InChIInChI=1S/C9H9N3O/c10-5-9(11)3-6-1-2-12-8(13)7(6)4-9/h1-2H,3-4,11H2,(H,12,13)
InChIKeyQUSLJHYRSKLSOH-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.31
Rot. Bonds

About 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile

6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile (PubChem CID 163914109) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile.

Molecular Properties

Compound Name6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
PubChem CID163914109
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile
SMILESN#CC1(N)Cc2cc[nH]c(=O)c2C1
InChIInChI=1S/C9H9N3O/c10-5-9(11)3-6-1-2-12-8(13)7(6)4-9/h1-2H,3-4,11H2,(H,12,13)
InChIKeyQUSLJHYRSKLSOH-UHFFFAOYSA-N
XLogP-0.31
TPSA82.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile?
The IUPAC name of 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile (CID 163914109) is 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile.
What is the SMILES notation for 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile?
The canonical SMILES for 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile is N#CC1(N)Cc2cc[nH]c(=O)c2C1.
What is the InChIKey of 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile?
The InChIKey is QUSLJHYRSKLSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-5-9(11)3-6-1-2-12-8(13)7(6)4-9/h1-2H,3-4,11H2,(H,12,13).
What are the key properties of 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile?
6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-oxo-5,7-dihydro-2H-cyclopenta[c]pyridine-6-carbonitrile is sourced from PubChem (CID 163914109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).