ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one

C11H18N2O — CID 143189390

IUPACethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC1=NC2NC(=O)CCC2C=C1
InChIInChI=1S/C9H12N2O.C2H6/c1-6-2-3-7-4-5-8(12)11-9(7)10-6;1-2/h2-3,7,9H,4-5H2,1H3,(H,11,12);1-2H3
InChIKeyUATLFCSWNUJOGZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.90
Rot. Bonds

About ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one

ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one (PubChem CID 143189390) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Nameethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
PubChem CID143189390
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one
SMILESCC.CC1=NC2NC(=O)CCC2C=C1
InChIInChI=1S/C9H12N2O.C2H6/c1-6-2-3-7-4-5-8(12)11-9(7)10-6;1-2/h2-3,7,9H,4-5H2,1H3,(H,11,12);1-2H3
InChIKeyUATLFCSWNUJOGZ-UHFFFAOYSA-N
XLogP1.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one (CID 143189390) is ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one is CC.CC1=NC2NC(=O)CCC2C=C1.
What is the InChIKey of ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
The InChIKey is UATLFCSWNUJOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-6-2-3-7-4-5-8(12)11-9(7)10-6;1-2/h2-3,7,9H,4-5H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one?
ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-3,4,4a,8a-tetrahydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 143189390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).