7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one

C12H12N2O — CID 101078724

IUPAC7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
SMILESCc1cccc2c3c(nn12)CCCC3=O
InChIInChI=1S/C12H12N2O/c1-8-4-2-6-10-12-9(13-14(8)10)5-3-7-11(12)15/h2,4,6H,3,5,7H2,1H3
InChIKeyCWJJWYJZBRGQFF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.16
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one

7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one (PubChem CID 101078724) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
PubChem CID101078724
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one
SMILESCc1cccc2c3c(nn12)CCCC3=O
InChIInChI=1S/C12H12N2O/c1-8-4-2-6-10-12-9(13-14(8)10)5-3-7-11(12)15/h2,4,6H,3,5,7H2,1H3
InChIKeyCWJJWYJZBRGQFF-UHFFFAOYSA-N
XLogP2.16
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The IUPAC name of 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one (CID 101078724) is 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one is Cc1cccc2c3c(nn12)CCCC3=O.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
The InChIKey is CWJJWYJZBRGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-4-2-6-10-12-9(13-14(8)10)5-3-7-11(12)15/h2,4,6H,3,5,7H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one?
7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-pyrido[1,2-b]indazol-1-one is sourced from PubChem (CID 101078724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).