7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

C12H13Cl2N3O — CID 118992918

IUPAC7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1Cl)C2
InChIInChI=1S/C12H13Cl2N3O/c13-8-5-15-6-9(14)10(8)17-4-2-12(7-17)1-3-16-11(12)18/h5-6H,1-4,7H2,(H,16,18)
InChIKeyZBNVGTCRDMJISZ-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.10
Rot. Bonds1

About 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118992918) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118992918
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1Cl)C2
InChIInChI=1S/C12H13Cl2N3O/c13-8-5-15-6-9(14)10(8)17-4-2-12(7-17)1-3-16-11(12)18/h5-6H,1-4,7H2,(H,16,18)
InChIKeyZBNVGTCRDMJISZ-UHFFFAOYSA-N
XLogP2.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 118992918) is 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1Cl)C2.
What is the InChIKey of 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ZBNVGTCRDMJISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c13-8-5-15-6-9(14)10(8)17-4-2-12(7-17)1-3-16-11(12)18/h5-6H,1-4,7H2,(H,16,18).
What are the key properties of 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 286.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dichloro-4-pyridinyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118992918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).