(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile

C14H16N2 — CID 92974904

IUPAC(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile
SMILESN#C[C@H]1CCCc2cc3c(nc21)CCCC3
InChIInChI=1S/C14H16N2/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h8,12H,1-7H2/t12-/m1/s1
InChIKeySOJIKZOLOLHKOH-GFCCVEGCSA-N
MW212.30 g/mol
LogP2.90
Rot. Bonds

About (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile

(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile (PubChem CID 92974904) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile.

Molecular Properties

Compound Name(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile
PubChem CID92974904
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile
SMILESN#C[C@H]1CCCc2cc3c(nc21)CCCC3
InChIInChI=1S/C14H16N2/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h8,12H,1-7H2/t12-/m1/s1
InChIKeySOJIKZOLOLHKOH-GFCCVEGCSA-N
XLogP2.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile?
The IUPAC name of (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile (CID 92974904) is (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile.
What is the SMILES notation for (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile?
The canonical SMILES for (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile is N#C[C@H]1CCCc2cc3c(nc21)CCCC3.
What is the InChIKey of (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile?
The InChIKey is SOJIKZOLOLHKOH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h8,12H,1-7H2/t12-/m1/s1.
What are the key properties of (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile?
(4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile has a molecular weight of 212.30 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,2,3,4,5,6,7,8-octahydroacridine-4-carbonitrile is sourced from PubChem (CID 92974904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).