7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one

C13H11NO — CID 126672401

IUPAC7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one
SMILESCc1ccc2c3c([nH]c(=O)c2c1)CC=C3
InChIInChI=1S/C13H11NO/c1-8-5-6-9-10-3-2-4-12(10)14-13(15)11(9)7-8/h2-3,5-7H,4H2,1H3,(H,14,15)
InChIKeyRZUMWVKDXBPNIS-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.41
Rot. Bonds

About 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one

7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one (PubChem CID 126672401) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one
PubChem CID126672401
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one
SMILESCc1ccc2c3c([nH]c(=O)c2c1)CC=C3
InChIInChI=1S/C13H11NO/c1-8-5-6-9-10-3-2-4-12(10)14-13(15)11(9)7-8/h2-3,5-7H,4H2,1H3,(H,14,15)
InChIKeyRZUMWVKDXBPNIS-UHFFFAOYSA-N
XLogP2.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-5H-phenanthridin-6-one
CID 102200304
4-hydroxy-7-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 54703481
4-amino-7-methyl-2H-isoquinolin-1-one
CID 84654886
3-methyl-5H-phenanthridin-6-one
CID 59877971
2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
CID 71111092
ethane;3-hydrazinyl-6-methyl-2H-isoquinolin-1-one
CID 142195634
5-methyl-1H-indene;propane
CID 91103814
2,7-dimethyl-10H-acridin-9-one
CID 13293445
8-methyl-3-(methylamino)-5H-pyrimido[4,5-c]isoquinolin-6-one
CID 147940378
7-methyl-3H-1-benzoxepin-2-one
CID 101054768
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 126745004
2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one?
The IUPAC name of 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one (CID 126672401) is 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one.
What is the SMILES notation for 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one?
The canonical SMILES for 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one is Cc1ccc2c3c([nH]c(=O)c2c1)CC=C3.
What is the InChIKey of 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one?
The InChIKey is RZUMWVKDXBPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-8-5-6-9-10-3-2-4-12(10)14-13(15)11(9)7-8/h2-3,5-7H,4H2,1H3,(H,14,15).
What are the key properties of 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one?
7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one has a molecular weight of 197.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydrocyclopenta[c]isoquinolin-5-one is sourced from PubChem (CID 126672401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).