8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one

C16H25NO — CID 91374922

IUPAC8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one
SMILESCCCC1CCCC2N=C3C(=O)CCCC3CC12
InChIInChI=1S/C16H25NO/c1-2-5-11-6-3-8-14-13(11)10-12-7-4-9-15(18)16(12)17-14/h11-14H,2-10H2,1H3
InChIKeyZQLTYUIHFQRIJY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.79
Rot. Bonds2

About 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one

8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one (PubChem CID 91374922) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one.

Molecular Properties

Compound Name8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one
PubChem CID91374922
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one
SMILESCCCC1CCCC2N=C3C(=O)CCCC3CC12
InChIInChI=1S/C16H25NO/c1-2-5-11-6-3-8-14-13(11)10-12-7-4-9-15(18)16(12)17-14/h11-14H,2-10H2,1H3
InChIKeyZQLTYUIHFQRIJY-UHFFFAOYSA-N
XLogP3.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one?
The IUPAC name of 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one (CID 91374922) is 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one.
What is the SMILES notation for 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one?
The canonical SMILES for 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one is CCCC1CCCC2N=C3C(=O)CCCC3CC12.
What is the InChIKey of 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one?
The InChIKey is ZQLTYUIHFQRIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-5-11-6-3-8-14-13(11)10-12-7-4-9-15(18)16(12)17-14/h11-14H,2-10H2,1H3.
What are the key properties of 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one?
8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one has a molecular weight of 247.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-2,3,5,6,7,8,8a,9,9a,10a-decahydro-1H-acridin-4-one is sourced from PubChem (CID 91374922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).