7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione

C12H16N2O2 — CID 167438544

IUPAC7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESCC(C)CC1Cc2[nH]c(=O)ccc2C(=O)N1
InChIInChI=1S/C12H16N2O2/c1-7(2)5-8-6-10-9(12(16)13-8)3-4-11(15)14-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVRUSZYDKWAWXHN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds2

About 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione

7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione (PubChem CID 167438544) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
PubChem CID167438544
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione
SMILESCC(C)CC1Cc2[nH]c(=O)ccc2C(=O)N1
InChIInChI=1S/C12H16N2O2/c1-7(2)5-8-6-10-9(12(16)13-8)3-4-11(15)14-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVRUSZYDKWAWXHN-UHFFFAOYSA-N
XLogP1.08
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The IUPAC name of 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione (CID 167438544) is 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione is CC(C)CC1Cc2[nH]c(=O)ccc2C(=O)N1.
What is the InChIKey of 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
The InChIKey is VRUSZYDKWAWXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)5-8-6-10-9(12(16)13-8)3-4-11(15)14-10/h3-4,7-8H,5-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione?
7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione has a molecular weight of 220.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-1,6,7,8-tetrahydro-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 167438544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).