8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride

C10H15ClN2O — CID 155858877

IUPAC8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride
SMILESCC1(C)CNCc2ccc(=O)[nH]c21.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-10(2)6-11-5-7-3-4-8(13)12-9(7)10;/h3-4,11H,5-6H2,1-2H3,(H,12,13);1H
InChIKeyIYYHJKOPRPHDBJ-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.18
Rot. Bonds

About 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride

8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride (PubChem CID 155858877) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride
PubChem CID155858877
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride
SMILESCC1(C)CNCc2ccc(=O)[nH]c21.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-10(2)6-11-5-7-3-4-8(13)12-9(7)10;/h3-4,11H,5-6H2,1-2H3,(H,12,13);1H
InChIKeyIYYHJKOPRPHDBJ-UHFFFAOYSA-N
XLogP1.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride?
The IUPAC name of 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride (CID 155858877) is 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride is CC1(C)CNCc2ccc(=O)[nH]c21.Cl.
What is the InChIKey of 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride?
The InChIKey is IYYHJKOPRPHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-10(2)6-11-5-7-3-4-8(13)12-9(7)10;/h3-4,11H,5-6H2,1-2H3,(H,12,13);1H.
What are the key properties of 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride?
8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 155858877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).