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

C8H11ClN2O — CID 66523912

IUPAC5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)CCNC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H,10,11);1H
InChIKeyPUBRCJGAHWSFOT-UHFFFAOYSA-N
MW186.64 g/mol
LogP0.44
Rot. Bonds

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

5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride (PubChem CID 66523912) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride
PubChem CID66523912
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride
SMILESCl.O=c1ccc2c([nH]1)CCNC2
InChIInChI=1S/C8H10N2O.ClH/c11-8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H,10,11);1H
InChIKeyPUBRCJGAHWSFOT-UHFFFAOYSA-N
XLogP0.44
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride (CID 66523912) is 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride is Cl.O=c1ccc2c([nH]1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride?
The InChIKey is PUBRCJGAHWSFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.ClH/c11-8-2-1-6-5-9-4-3-7(6)10-8;/h1-2,9H,3-5H2,(H,10,11);1H.
What are the key properties of 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride?
5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride has a molecular weight of 186.64 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-1H-1,6-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 66523912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).