ethane;methanol;quinoline

C12H17NO — CID 90686502

IUPACethane;methanol;quinoline
SMILESCC.CO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H6.CH4O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H3;2H,1H3
InChIKeyRVJGDURDVIDOBL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.87
Rot. Bonds

About ethane;methanol;quinoline

ethane;methanol;quinoline (PubChem CID 90686502) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;methanol;quinoline.

Molecular Properties

Compound Nameethane;methanol;quinoline
PubChem CID90686502
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;methanol;quinoline
SMILESCC.CO.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C2H6.CH4O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H3;2H,1H3
InChIKeyRVJGDURDVIDOBL-UHFFFAOYSA-N
XLogP2.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

quinoline
CID 76974643
bis(2,2-dimethylpropane);ethane;quinoline
CID 159309624
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
propan-2-ol;quinoline
CID 172685699
tetrakis(benzene-1,4-diol);quinoline
CID 174523855
N,N-dimethylmethanamine;quinoline
CID 174404526

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;quinoline?
The IUPAC name of ethane;methanol;quinoline (CID 90686502) is ethane;methanol;quinoline.
What is the SMILES notation for ethane;methanol;quinoline?
The canonical SMILES for ethane;methanol;quinoline is CC.CO.c1ccc2ncccc2c1.
What is the InChIKey of ethane;methanol;quinoline?
The InChIKey is RVJGDURDVIDOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C2H6.CH4O/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2/h1-7H;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;quinoline?
ethane;methanol;quinoline has a molecular weight of 191.27 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;quinoline is sourced from PubChem (CID 90686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).