2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide

C12H18BrN3O — CID 177063257

IUPAC2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide
SMILESBr.Cn1cc2c(n1)C(=O)CC1(CCNCC1)C2
InChIInChI=1S/C12H17N3O.BrH/c1-15-8-9-6-12(2-4-13-5-3-12)7-10(16)11(9)14-15;/h8,13H,2-7H2,1H3;1H
InChIKeyXQSRPSGCXWNZBV-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.50
Rot. Bonds

About 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide

2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide (PubChem CID 177063257) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide.

Molecular Properties

Compound Name2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide
PubChem CID177063257
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide
SMILESBr.Cn1cc2c(n1)C(=O)CC1(CCNCC1)C2
InChIInChI=1S/C12H17N3O.BrH/c1-15-8-9-6-12(2-4-13-5-3-12)7-10(16)11(9)14-15;/h8,13H,2-7H2,1H3;1H
InChIKeyXQSRPSGCXWNZBV-UHFFFAOYSA-N
XLogP1.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide?
The IUPAC name of 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide (CID 177063257) is 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide.
What is the SMILES notation for 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide?
The canonical SMILES for 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide is Br.Cn1cc2c(n1)C(=O)CC1(CCNCC1)C2.
What is the InChIKey of 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide?
The InChIKey is XQSRPSGCXWNZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.BrH/c1-15-8-9-6-12(2-4-13-5-3-12)7-10(16)11(9)14-15;/h8,13H,2-7H2,1H3;1H.
What are the key properties of 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide?
2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide has a molecular weight of 300.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one;hydrobromide is sourced from PubChem (CID 177063257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).