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

C12H15NO — CID 56630927

IUPACethane;4-methyl-8aH-isoquinolin-1-one
SMILESCC.CC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO.C2H6/c1-7-6-11-10(12)9-5-3-2-4-8(7)9;1-2/h2-6,9H,1H3;1-2H3
InChIKeyTVWHSLSDUOTNTQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.68
Rot. Bonds

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

ethane;4-methyl-8aH-isoquinolin-1-one (PubChem CID 56630927) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is ethane;4-methyl-8aH-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;4-methyl-8aH-isoquinolin-1-one
PubChem CID56630927
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameethane;4-methyl-8aH-isoquinolin-1-one
SMILESCC.CC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO.C2H6/c1-7-6-11-10(12)9-5-3-2-4-8(7)9;1-2/h2-6,9H,1H3;1-2H3
InChIKeyTVWHSLSDUOTNTQ-UHFFFAOYSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3h-Pyrrolo[3,4-c]quinolin4(3ah)-one
CID 139266891
6-fluoro-8aH-isoquinolin-1-one
CID 72210889
7-(trifluoromethyl)-8aH-isoquinolin-1-one
CID 72211761
6-(trifluoromethyl)-8aH-isoquinolin-1-one
CID 72211762
6-cyclopropyl-8-fluoro-8aH-isoquinolin-1-one
CID 72295287
7-fluoro-8aH-isoquinolin-1-one
CID 73877860
8-fluoro-8aH-isoquinolin-1-one
CID 75089230
7,8-difluoro-4-methyl-8aH-isoquinolin-1-one
CID 77620791
8aH-isoquinolin-1-one
CID 45051642
4-methyl-8aH-isoquinolin-1-one
CID 56630928
3-propyl-8aH-isoquinolin-1-one
CID 57240393
6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one
CID 68522902

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-8aH-isoquinolin-1-one?
The IUPAC name of ethane;4-methyl-8aH-isoquinolin-1-one (CID 56630927) is ethane;4-methyl-8aH-isoquinolin-1-one.
What is the SMILES notation for ethane;4-methyl-8aH-isoquinolin-1-one?
The canonical SMILES for ethane;4-methyl-8aH-isoquinolin-1-one is CC.CC1=C2C=CC=CC2C(=O)N=C1.
What is the InChIKey of ethane;4-methyl-8aH-isoquinolin-1-one?
The InChIKey is TVWHSLSDUOTNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H6/c1-7-6-11-10(12)9-5-3-2-4-8(7)9;1-2/h2-6,9H,1H3;1-2H3.
What are the key properties of ethane;4-methyl-8aH-isoquinolin-1-one?
ethane;4-methyl-8aH-isoquinolin-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-8aH-isoquinolin-1-one is sourced from PubChem (CID 56630927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).