7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one

C11H10ClNO — CID 19612106

IUPAC7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
SMILESO=C1CCc2c(Cl)ccc3c2N1CC3
InChIInChI=1S/C11H10ClNO/c12-9-3-1-7-5-6-13-10(14)4-2-8(9)11(7)13/h1,3H,2,4-6H2
InChIKeyIEVPUFSFOMNUOE-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.18
Rot. Bonds

About 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one

7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one (PubChem CID 19612106) has the molecular formula C11H10ClNO and a molecular weight of 207.66 g/mol. Its IUPAC name is 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one.

Molecular Properties

Compound Name7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
PubChem CID19612106
Molecular FormulaC11H10ClNO
Molecular Weight207.66 g/mol
Exact Mass207.05
IUPAC Name7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
SMILESO=C1CCc2c(Cl)ccc3c2N1CC3
InChIInChI=1S/C11H10ClNO/c12-9-3-1-7-5-6-13-10(14)4-2-8(9)11(7)13/h1,3H,2,4-6H2
InChIKeyIEVPUFSFOMNUOE-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The IUPAC name of 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one (CID 19612106) is 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one.
What is the SMILES notation for 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The canonical SMILES for 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one is O=C1CCc2c(Cl)ccc3c2N1CC3.
What is the InChIKey of 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
The InChIKey is IEVPUFSFOMNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO/c12-9-3-1-7-5-6-13-10(14)4-2-8(9)11(7)13/h1,3H,2,4-6H2.
What are the key properties of 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one?
7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one has a molecular weight of 207.66 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one is sourced from PubChem (CID 19612106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).