ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

C13H22N2O — CID 143766696

IUPACethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC.Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C9H10N2O.2C2H6/c1-6-4-7-2-3-8(12)11-9(7)10-5-6;2*1-2/h4-5H,2-3H2,1H3,(H,10,11,12);2*1-2H3
InChIKeyJPZZAUQOQKQZIW-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.33
Rot. Bonds

About ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one

ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 143766696) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID143766696
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC.Cc1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C9H10N2O.2C2H6/c1-6-4-7-2-3-8(12)11-9(7)10-5-6;2*1-2/h4-5H,2-3H2,1H3,(H,10,11,12);2*1-2H3
InChIKeyJPZZAUQOQKQZIW-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 20752822
3-methyl-5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
CID 142820616
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
trifluoro-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)boranuide
CID 167722785
6-(1-ethoxyethenyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 167066836
ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine
CID 172632266
8-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 79306298
6-hexan-3-yl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155009311
3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)but-2-enoic acid;hydrochloride
CID 66905049
6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 45496220
2-tert-butyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)but-2-enoic acid
CID 66905252
ethane;7-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 143189329

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 143766696) is ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC.CC.Cc1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is JPZZAUQOQKQZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.2C2H6/c1-6-4-7-2-3-8(12)11-9(7)10-5-6;2*1-2/h4-5H,2-3H2,1H3,(H,10,11,12);2*1-2H3.
What are the key properties of ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one?
ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 143766696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).