6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one

C15H12ClNO — CID 143166068

IUPAC6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one
SMILESO=C1C2=C(CC=CC=N2)CCc2cc(Cl)ccc21
InChIInChI=1S/C15H12ClNO/c16-12-6-7-13-11(9-12)5-4-10-3-1-2-8-17-14(10)15(13)18/h1-2,6-9H,3-5H2
InChIKeyIAKLVWVDYUWRGW-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.75
Rot. Bonds

About 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one

6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one (PubChem CID 143166068) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one.

Molecular Properties

Compound Name6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one
PubChem CID143166068
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one
SMILESO=C1C2=C(CC=CC=N2)CCc2cc(Cl)ccc21
InChIInChI=1S/C15H12ClNO/c16-12-6-7-13-11(9-12)5-4-10-3-1-2-8-17-14(10)15(13)18/h1-2,6-9H,3-5H2
InChIKeyIAKLVWVDYUWRGW-UHFFFAOYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one with MolForge

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Related Compounds

1-[3-[4-(6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-ylidene)piperidin-1-yl]-3-oxopropyl]pyrrole-2,5-dione;methanethiol
CID 142048346
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one;ethane
CID 142278146
5-chloro-3H-indene-1,2-dione
CID 11074006
6-chloro-2,2-dimethyl-3,4-dihydronaphthalen-1-one
CID 14957672
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
14-chloro-4-azatricyclo[10.4.0.03,8]hexadeca-1(12),3(8),4,6,13,15-hexaen-2-one
CID 142002139
6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 141184088
1,8-dichloro-3-(chloromethyl)-4-methyl-5,6-dihydro-2-benzazocine
CID 123235689
13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 18715337
7-chloro-1H-carbazole
CID 154020916
3,6-dichlorophenanthrene-9,10-dione
CID 15371518

Frequently Asked Questions

What is the IUPAC name of 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one?
The IUPAC name of 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one (CID 143166068) is 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one.
What is the SMILES notation for 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one?
The canonical SMILES for 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one is O=C1C2=C(CC=CC=N2)CCc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one?
The InChIKey is IAKLVWVDYUWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-6-7-13-11(9-12)5-4-10-3-1-2-8-17-14(10)15(13)18/h1-2,6-9H,3-5H2.
What are the key properties of 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one?
6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one has a molecular weight of 257.72 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-16-azatricyclo[9.5.0.03,8]hexadeca-1(11),3(8),4,6,13,15-hexaen-2-one is sourced from PubChem (CID 143166068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).