formic acid;2-methyl-2,3-dihydro-1H-indole

C10H13NO2 — CID 144722451

IUPACformic acid;2-methyl-2,3-dihydro-1H-indole
SMILESCC1Cc2ccccc2N1.O=CO
InChIInChI=1S/C9H11N.CH2O2/c1-7-6-8-4-2-3-5-9(8)10-7;2-1-3/h2-5,7,10H,6H2,1H3;1H,(H,2,3)
InChIKeyGSPVNPFPDAJTLG-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.74
Rot. Bonds

About formic acid;2-methyl-2,3-dihydro-1H-indole

formic acid;2-methyl-2,3-dihydro-1H-indole (PubChem CID 144722451) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is formic acid;2-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Nameformic acid;2-methyl-2,3-dihydro-1H-indole
PubChem CID144722451
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Nameformic acid;2-methyl-2,3-dihydro-1H-indole
SMILESCC1Cc2ccccc2N1.O=CO
InChIInChI=1S/C9H11N.CH2O2/c1-7-6-8-4-2-3-5-9(8)10-7;2-1-3/h2-5,7,10H,6H2,1H3;1H,(H,2,3)
InChIKeyGSPVNPFPDAJTLG-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formic acid;2-methyl-2,3-dihydro-1H-indole with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
2-methyl-2,3-dihydro-1H-indole;2-methyl-1,3-dihydroisoindole
CID 158613443
1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-(2,3-dihydro-1H-indol-2-yl)acetamide
CID 23387653
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712

Frequently Asked Questions

What is the IUPAC name of formic acid;2-methyl-2,3-dihydro-1H-indole?
The IUPAC name of formic acid;2-methyl-2,3-dihydro-1H-indole (CID 144722451) is formic acid;2-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for formic acid;2-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for formic acid;2-methyl-2,3-dihydro-1H-indole is CC1Cc2ccccc2N1.O=CO.
What is the InChIKey of formic acid;2-methyl-2,3-dihydro-1H-indole?
The InChIKey is GSPVNPFPDAJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.CH2O2/c1-7-6-8-4-2-3-5-9(8)10-7;2-1-3/h2-5,7,10H,6H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;2-methyl-2,3-dihydro-1H-indole?
formic acid;2-methyl-2,3-dihydro-1H-indole has a molecular weight of 179.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 144722451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).