2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one

C11H14N2O — CID 122696780

IUPAC2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCC(C)c1ccc2c(n1)CCNC2=O
InChIInChI=1S/C11H14N2O/c1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyGGGNCNFADOEISW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.49
Rot. Bonds1

About 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 122696780) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID122696780
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCC(C)c1ccc2c(n1)CCNC2=O
InChIInChI=1S/C11H14N2O/c1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h3-4,7H,5-6H2,1-2H3,(H,12,14)
InChIKeyGGGNCNFADOEISW-UHFFFAOYSA-N
XLogP1.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 122696780) is 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one is CC(C)c1ccc2c(n1)CCNC2=O.
What is the InChIKey of 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is GGGNCNFADOEISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(2)9-4-3-8-10(13-9)5-6-12-11(8)14/h3-4,7H,5-6H2,1-2H3,(H,12,14).
What are the key properties of 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 190.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 122696780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).