2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde

C11H10N2OS — CID 96609956

IUPAC2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde
SMILESCn1cc2c(n1)-c1cc(C=O)sc1CC2
InChIInChI=1S/C11H10N2OS/c1-13-5-7-2-3-10-9(11(7)12-13)4-8(6-14)15-10/h4-6H,2-3H2,1H3
InChIKeyRKAJCCPRIKYFLX-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde

2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde (PubChem CID 96609956) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde
PubChem CID96609956
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde
SMILESCn1cc2c(n1)-c1cc(C=O)sc1CC2
InChIInChI=1S/C11H10N2OS/c1-13-5-7-2-3-10-9(11(7)12-13)4-8(6-14)15-10/h4-6H,2-3H2,1H3
InChIKeyRKAJCCPRIKYFLX-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde?
The IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde (CID 96609956) is 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde.
What is the SMILES notation for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde?
The canonical SMILES for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde is Cn1cc2c(n1)-c1cc(C=O)sc1CC2.
What is the InChIKey of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde?
The InChIKey is RKAJCCPRIKYFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-13-5-7-2-3-10-9(11(7)12-13)4-8(6-14)15-10/h4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde?
2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydrothieno[2,3-g]indazole-7-carbaldehyde is sourced from PubChem (CID 96609956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).