ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen

C12H17NO — CID 142225291

IUPACethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
SMILESCC.Cc1cc(=O)[nH]c2ccccc12.[H][H]
InChIInChI=1S/C10H9NO.C2H6.H2/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2;/h2-6H,1H3,(H,11,12);1-2H3;1H
InChIKeyNVUBLVNRUZYBFU-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.11
Rot. Bonds

About ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen

ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen (PubChem CID 142225291) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen.

Molecular Properties

Compound Nameethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
PubChem CID142225291
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
SMILESCC.Cc1cc(=O)[nH]c2ccccc12.[H][H]
InChIInChI=1S/C10H9NO.C2H6.H2/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2;/h2-6H,1H3,(H,11,12);1-2H3;1H
InChIKeyNVUBLVNRUZYBFU-UHFFFAOYSA-N
XLogP3.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
1,3-benzothiazole;4-methyl-1H-quinolin-2-one
CID 159160128
4-(methylamino)-1H-quinolin-2-one
CID 23884668
ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
CID 145019261
10H-acridin-9-one;ethane
CID 91525380
4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
CID 59237419
methyl-[(2-oxo-1H-quinolin-4-yl)methyl]azanium
CID 7061139
9H-carbazole;ethane
CID 91098062
bis(9H-carbazole);ethane
CID 145072085
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
4-(methylsulfanylmethyl)-1H-quinolin-2-one
CID 15269617
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen?
The IUPAC name of ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen (CID 142225291) is ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen.
What is the SMILES notation for ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen?
The canonical SMILES for ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen is CC.Cc1cc(=O)[nH]c2ccccc12.[H][H].
What is the InChIKey of ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen?
The InChIKey is NVUBLVNRUZYBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H6.H2/c1-7-6-10(12)11-9-5-3-2-4-8(7)9;1-2;/h2-6H,1H3,(H,11,12);1-2H3;1H.
What are the key properties of ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen?
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen has a molecular weight of 191.27 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen is sourced from PubChem (CID 142225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).