formic acid;1-methylisoquinoline

C11H11NO2 — CID 175196109

IUPACformic acid;1-methylisoquinoline
SMILESCc1nccc2ccccc12.O=CO
InChIInChI=1S/C10H9N.CH2O2/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1-3/h2-7H,1H3;1H,(H,2,3)
InChIKeyBVHGUCGEHNGPPU-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.24
Rot. Bonds

About formic acid;1-methylisoquinoline

formic acid;1-methylisoquinoline (PubChem CID 175196109) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is formic acid;1-methylisoquinoline.

Molecular Properties

Compound Nameformic acid;1-methylisoquinoline
PubChem CID175196109
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Nameformic acid;1-methylisoquinoline
SMILESCc1nccc2ccccc12.O=CO
InChIInChI=1S/C10H9N.CH2O2/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1-3/h2-7H,1H3;1H,(H,2,3)
InChIKeyBVHGUCGEHNGPPU-UHFFFAOYSA-N
XLogP2.24
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formic acid;1-methylisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methylisoquinoline?
The IUPAC name of formic acid;1-methylisoquinoline (CID 175196109) is formic acid;1-methylisoquinoline.
What is the SMILES notation for formic acid;1-methylisoquinoline?
The canonical SMILES for formic acid;1-methylisoquinoline is Cc1nccc2ccccc12.O=CO.
What is the InChIKey of formic acid;1-methylisoquinoline?
The InChIKey is BVHGUCGEHNGPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.CH2O2/c1-8-10-5-3-2-4-9(10)6-7-11-8;2-1-3/h2-7H,1H3;1H,(H,2,3).
What are the key properties of formic acid;1-methylisoquinoline?
formic acid;1-methylisoquinoline has a molecular weight of 189.21 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methylisoquinoline is sourced from PubChem (CID 175196109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).