ethane;4-methoxy-8aH-isoquinolin-1-one

C12H15NO2 — CID 91090244

IUPACethane;4-methoxy-8aH-isoquinolin-1-one
SMILESCC.COC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6,8H,1H3;1-2H3
InChIKeyCKHCUVPANNIIEN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.27
Rot. Bonds1

About ethane;4-methoxy-8aH-isoquinolin-1-one

ethane;4-methoxy-8aH-isoquinolin-1-one (PubChem CID 91090244) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;4-methoxy-8aH-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;4-methoxy-8aH-isoquinolin-1-one
PubChem CID91090244
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethane;4-methoxy-8aH-isoquinolin-1-one
SMILESCC.COC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6,8H,1H3;1-2H3
InChIKeyCKHCUVPANNIIEN-UHFFFAOYSA-N
XLogP2.27
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6-methoxy-8aH-isoquinolin-1-one
CID 91363585
7-fluoro-4-methoxy-8aH-isoquinolin-1-one
CID 123850935
ethane;4-methyl-8aH-isoquinolin-1-one
CID 56630927
4-methyl-8aH-isoquinolin-1-one
CID 56630928
6,7-dimethyl-8aH-isoquinolin-1-one
CID 85279786
7-chloro-4-methoxy-8aH-isoquinolin-1-one
CID 123277449
4-chloro-7-methoxy-8aH-isoquinolin-1-one
CID 123353542
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
6-methyl-8aH-isoquinolin-1-one
CID 71303988
7-methoxy-8aH-isoquinolin-1-one
CID 71304048
7-methyl-8aH-isoquinolin-1-one
CID 72210862
8-methoxy-8aH-isoquinolin-1-one
CID 73187982

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-8aH-isoquinolin-1-one?
The IUPAC name of ethane;4-methoxy-8aH-isoquinolin-1-one (CID 91090244) is ethane;4-methoxy-8aH-isoquinolin-1-one.
What is the SMILES notation for ethane;4-methoxy-8aH-isoquinolin-1-one?
The canonical SMILES for ethane;4-methoxy-8aH-isoquinolin-1-one is CC.COC1=C2C=CC=CC2C(=O)N=C1.
What is the InChIKey of ethane;4-methoxy-8aH-isoquinolin-1-one?
The InChIKey is CKHCUVPANNIIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9;1-2/h2-6,8H,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-8aH-isoquinolin-1-one?
ethane;4-methoxy-8aH-isoquinolin-1-one has a molecular weight of 205.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-8aH-isoquinolin-1-one is sourced from PubChem (CID 91090244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).