4-methyl-1-propan-2-yl-10H-acridin-9-one

C17H17NO — CID 616859

IUPAC4-methyl-1-propan-2-yl-10H-acridin-9-one
SMILESCc1ccc(C(C)C)c2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H17NO/c1-10(2)12-9-8-11(3)16-15(12)17(19)13-6-4-5-7-14(13)18-16/h4-10H,1-3H3,(H,18,19)
InChIKeyPDAHPIURXCFNPF-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.11
Rot. Bonds1

About 4-methyl-1-propan-2-yl-10H-acridin-9-one

4-methyl-1-propan-2-yl-10H-acridin-9-one (PubChem CID 616859) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-10H-acridin-9-one.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-10H-acridin-9-one
PubChem CID616859
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-methyl-1-propan-2-yl-10H-acridin-9-one
SMILESCc1ccc(C(C)C)c2c(=O)c3ccccc3[nH]c12
InChIInChI=1S/C17H17NO/c1-10(2)12-9-8-11(3)16-15(12)17(19)13-6-4-5-7-14(13)18-16/h4-10H,1-3H3,(H,18,19)
InChIKeyPDAHPIURXCFNPF-UHFFFAOYSA-N
XLogP4.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-10H-acridin-9-one?
The IUPAC name of 4-methyl-1-propan-2-yl-10H-acridin-9-one (CID 616859) is 4-methyl-1-propan-2-yl-10H-acridin-9-one.
What is the SMILES notation for 4-methyl-1-propan-2-yl-10H-acridin-9-one?
The canonical SMILES for 4-methyl-1-propan-2-yl-10H-acridin-9-one is Cc1ccc(C(C)C)c2c(=O)c3ccccc3[nH]c12.
What is the InChIKey of 4-methyl-1-propan-2-yl-10H-acridin-9-one?
The InChIKey is PDAHPIURXCFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-10(2)12-9-8-11(3)16-15(12)17(19)13-6-4-5-7-14(13)18-16/h4-10H,1-3H3,(H,18,19).
What are the key properties of 4-methyl-1-propan-2-yl-10H-acridin-9-one?
4-methyl-1-propan-2-yl-10H-acridin-9-one has a molecular weight of 251.33 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-10H-acridin-9-one is sourced from PubChem (CID 616859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).