8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile

C10H12N2O2 — CID 130007457

IUPAC8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile
SMILESN#CC1=CC2CCCCC2(O)NC1=O
InChIInChI=1S/C10H12N2O2/c11-6-7-5-8-3-1-2-4-10(8,14)12-9(7)13/h5,8,14H,1-4H2,(H,12,13)
InChIKeyQBXQROSSBXDDEP-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.44
Rot. Bonds

About 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile

8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile (PubChem CID 130007457) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile
PubChem CID130007457
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile
SMILESN#CC1=CC2CCCCC2(O)NC1=O
InChIInChI=1S/C10H12N2O2/c11-6-7-5-8-3-1-2-4-10(8,14)12-9(7)13/h5,8,14H,1-4H2,(H,12,13)
InChIKeyQBXQROSSBXDDEP-UHFFFAOYSA-N
XLogP0.44
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The IUPAC name of 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile (CID 130007457) is 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile.
What is the SMILES notation for 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The canonical SMILES for 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile is N#CC1=CC2CCCCC2(O)NC1=O.
What is the InChIKey of 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The InChIKey is QBXQROSSBXDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-6-7-5-8-3-1-2-4-10(8,14)12-9(7)13/h5,8,14H,1-4H2,(H,12,13).
What are the key properties of 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile?
8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-2-oxo-1,4a,5,6,7,8-hexahydroquinoline-3-carbonitrile is sourced from PubChem (CID 130007457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).