9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one

C14H15Cl2NO — CID 62713577

IUPAC9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO/c15-13-5-4-11(8-14(13)16)17-9-2-1-3-10(17)7-12(18)6-9/h4-5,8-10H,1-3,6-7H2
InChIKeyWVEKNVRZWBLTHE-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.08
Rot. Bonds1

About 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one

9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62713577) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62713577
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO/c15-13-5-4-11(8-14(13)16)17-9-2-1-3-10(17)7-12(18)6-9/h4-5,8-10H,1-3,6-7H2
InChIKeyWVEKNVRZWBLTHE-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62713577) is 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is WVEKNVRZWBLTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-13-5-4-11(8-14(13)16)17-9-2-1-3-10(17)7-12(18)6-9/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 284.19 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62713577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).