(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile

C15H21N3O — CID 910645

IUPAC(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
SMILESN#C[C@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2O
InChIInChI=1S/C15H21N3O/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13,11-17)18(14)19/h12-13,19H,1-9H2/t12-,13+,14+,15-
InChIKeyCZAUHVDCCXCBCA-PYHGIMPFSA-N
MW259.35 g/mol
LogP2.99
Rot. Bonds

About (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile

(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile (PubChem CID 910645) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile.

Molecular Properties

Compound Name(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
PubChem CID910645
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
SMILESN#C[C@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2O
InChIInChI=1S/C15H21N3O/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13,11-17)18(14)19/h12-13,19H,1-9H2/t12-,13+,14+,15-
InChIKeyCZAUHVDCCXCBCA-PYHGIMPFSA-N
XLogP2.99
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile with MolForge

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Related Compounds

(4aS,8aS,9aS,10aR)-10-(2-hydroxyethyl)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
CID 910052
1-acetyl-2,3,4,4a,5,6,7,8-octahydroquinoline-8a-carbonitrile
CID 177478506
(4aR,8aR,9aR,10aS)-10-(pyridin-2-ylmethyl)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
CID 7093422
(3aS,7aS)-1-methyl-2-oxo-3,3a,4,5,6,7-hexahydroindole-7a-carbonitrile
CID 10954089
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
(4R,4aS,8aR)-4-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbonitrile
CID 131154338
2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
(1R,14R,19S)-3,13-diazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-2(10),4,6,8-tetraene-14-carbonitrile
CID 10957714
(4aR,8aS)-2,3,4,4a,5,6,7,8-octahydro-1H-quinoline-8a-carbonitrile
CID 131005908
7-azabicyclo[4.1.0]heptane-1-carbonitrile
CID 55299869
tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarbonitrile
CID 139970843

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile?
The IUPAC name of (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile (CID 910645) is (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile.
What is the SMILES notation for (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile?
The canonical SMILES for (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile is N#C[C@]12CCCC[C@H]1C[C@H]1CCCC[C@@]1(C#N)N2O.
What is the InChIKey of (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile?
The InChIKey is CZAUHVDCCXCBCA-PYHGIMPFSA-N. The full InChI is InChI=1S/C15H21N3O/c16-10-14-7-3-1-5-12(14)9-13-6-2-4-8-15(13,11-17)18(14)19/h12-13,19H,1-9H2/t12-,13+,14+,15-.
What are the key properties of (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile?
(4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR,9aS,10aR)-10-hydroxy-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile is sourced from PubChem (CID 910645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).