6,10-dihydrocyclohepta[c]isoquinolin-5-one

C14H11NO — CID 163466679

IUPAC6,10-dihydrocyclohepta[c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)=CCC=CC=2
InChIInChI=1S/C14H11NO/c16-14-12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)15-14/h1,3-9H,2H2,(H,15,16)
InChIKeyBTERKECLGBVNMO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.05
Rot. Bonds

About 6,10-dihydrocyclohepta[c]isoquinolin-5-one

6,10-dihydrocyclohepta[c]isoquinolin-5-one (PubChem CID 163466679) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 6,10-dihydrocyclohepta[c]isoquinolin-5-one.

Molecular Properties

Compound Name6,10-dihydrocyclohepta[c]isoquinolin-5-one
PubChem CID163466679
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name6,10-dihydrocyclohepta[c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)=CCC=CC=2
InChIInChI=1S/C14H11NO/c16-14-12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)15-14/h1,3-9H,2H2,(H,15,16)
InChIKeyBTERKECLGBVNMO-UHFFFAOYSA-N
XLogP1.05
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,10-dihydrocyclohepta[c]quinolin-6-one
CID 142144523
ethane;6-methyl-10H-cyclohepta[c]isoquinolin-5-one;propane
CID 143666521
2,3,4,5-tetrahydro-1H-phenanthridin-6-one;hydrochloride
CID 142809398
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
3-chloro-4-methyl-2H-isoquinolin-1-one
CID 134913358
1,5-dihydrocyclohepta[b]pyrrole;ethane;molecular hydrogen
CID 142049480
6,11-dihydroindeno[1,2-c]isoquinolin-5-one;methanol
CID 91287320
4-methyl-2,4-benzodiazepine-1,3,5-trione
CID 46706813
1-oxo-4-phenyl-2H-isoquinoline-3-carbonitrile
CID 15075779
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
7-azatetracyclo[11.3.1.05,16.09,14]heptadeca-1(17),2,4,9,11,13,15-heptaene-6,8-dione
CID 173336202
cyclopenta-1,3-diene;phenanthrene
CID 159923928

Frequently Asked Questions

What is the IUPAC name of 6,10-dihydrocyclohepta[c]isoquinolin-5-one?
The IUPAC name of 6,10-dihydrocyclohepta[c]isoquinolin-5-one (CID 163466679) is 6,10-dihydrocyclohepta[c]isoquinolin-5-one.
What is the SMILES notation for 6,10-dihydrocyclohepta[c]isoquinolin-5-one?
The canonical SMILES for 6,10-dihydrocyclohepta[c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)=CCC=CC=2.
What is the InChIKey of 6,10-dihydrocyclohepta[c]isoquinolin-5-one?
The InChIKey is BTERKECLGBVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)15-14/h1,3-9H,2H2,(H,15,16).
What are the key properties of 6,10-dihydrocyclohepta[c]isoquinolin-5-one?
6,10-dihydrocyclohepta[c]isoquinolin-5-one has a molecular weight of 209.25 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydrocyclohepta[c]isoquinolin-5-one is sourced from PubChem (CID 163466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).