1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone

C10H12N2O — CID 163554942

IUPAC1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone
SMILESCC(=O)N1N[C@@H](C)c2ccccc21
InChIInChI=1S/C10H12N2O/c1-7-9-5-3-4-6-10(9)12(11-7)8(2)13/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyFMFVHNLZMVWVNV-ZETCQYMHSA-N
MW176.22 g/mol
LogP1.62
Rot. Bonds

About 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone

1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone (PubChem CID 163554942) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone
PubChem CID163554942
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone
SMILESCC(=O)N1N[C@@H](C)c2ccccc21
InChIInChI=1S/C10H12N2O/c1-7-9-5-3-4-6-10(9)12(11-7)8(2)13/h3-7,11H,1-2H3/t7-/m0/s1
InChIKeyFMFVHNLZMVWVNV-ZETCQYMHSA-N
XLogP1.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone 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

1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
CID 124630057
1-(2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 15181609
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
1-(6-hydroxy-6H-phenanthridin-5-yl)ethanone
CID 14452374
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-hydroxy-3-methyl-3H-indol-2-one
CID 14740978
(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
CID 15396395
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
1-(2-cyclopropyl-4-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 139325866
1,5-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82647084

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone (CID 163554942) is 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone is CC(=O)N1N[C@@H](C)c2ccccc21.
What is the InChIKey of 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone?
The InChIKey is FMFVHNLZMVWVNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-9-5-3-4-6-10(9)12(11-7)8(2)13/h3-7,11H,1-2H3/t7-/m0/s1.
What are the key properties of 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone?
1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone has a molecular weight of 176.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methyl-2,3-dihydroindazol-1-yl]ethanone is sourced from PubChem (CID 163554942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).