ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one

C12H19NO — CID 143902089

IUPACethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC.CC1=CC2=C(CC1)NC(=O)CC2
InChIInChI=1S/C10H13NO.C2H6/c1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-2/h6H,2-5H2,1H3,(H,11,12);1-2H3
InChIKeyQHJVCXSVGKAULI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.92
Rot. Bonds

About ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one

ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 143902089) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID143902089
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Nameethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC.CC1=CC2=C(CC1)NC(=O)CC2
InChIInChI=1S/C10H13NO.C2H6/c1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-2/h6H,2-5H2,1H3,(H,11,12);1-2H3
InChIKeyQHJVCXSVGKAULI-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one (CID 143902089) is ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one is CC.CC1=CC2=C(CC1)NC(=O)CC2.
What is the InChIKey of ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is QHJVCXSVGKAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.C2H6/c1-7-2-4-9-8(6-7)3-5-10(12)11-9;1-2/h6H,2-5H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one?
ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,4,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 143902089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).