(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one

C13H19NO — CID 124707293

IUPAC(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one
SMILESO=C1C2=C(CCCC2)N[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H19NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h9,11,14H,1-8H2/t9-,11+/m1/s1
InChIKeyXUTRBGAPHUTJQH-KOLCDFICSA-N
MW205.30 g/mol
LogP2.55
Rot. Bonds

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

(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one (PubChem CID 124707293) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one.

Molecular Properties

Compound Name(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one
PubChem CID124707293
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one
SMILESO=C1C2=C(CCCC2)N[C@H]2CCCC[C@@H]12
InChIInChI=1S/C13H19NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h9,11,14H,1-8H2/t9-,11+/m1/s1
InChIKeyXUTRBGAPHUTJQH-KOLCDFICSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one?
The IUPAC name of (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one (CID 124707293) is (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one.
What is the SMILES notation for (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one?
The canonical SMILES for (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one is O=C1C2=C(CCCC2)N[C@H]2CCCC[C@@H]12.
What is the InChIKey of (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one?
The InChIKey is XUTRBGAPHUTJQH-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h9,11,14H,1-8H2/t9-,11+/m1/s1.
What are the key properties of (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one?
(4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one has a molecular weight of 205.30 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-2,3,4,4a,5,6,7,8,9a,10-decahydro-1H-acridin-9-one is sourced from PubChem (CID 124707293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).