3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one

C16H20N2O — CID 7059807

IUPAC3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESC[C@H]1CCCC[C@@H]1/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H20N2O/c1-11-6-2-4-8-14(11)17-10-13-12-7-3-5-9-15(12)18-16(13)19/h3,5,7,9-11,13-14H,2,4,6,8H2,1H3,(H,18,19)/b17-10+/t11-,13?,14-/m0/s1
InChIKeyXVZDPJNSDQCLTP-WSMHOCPVSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds2

About 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one

3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one (PubChem CID 7059807) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one
PubChem CID7059807
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one
SMILESC[C@H]1CCCC[C@@H]1/N=C/C1C(=O)Nc2ccccc21
InChIInChI=1S/C16H20N2O/c1-11-6-2-4-8-14(11)17-10-13-12-7-3-5-9-15(12)18-16(13)19/h3,5,7,9-11,13-14H,2,4,6,8H2,1H3,(H,18,19)/b17-10+/t11-,13?,14-/m0/s1
InChIKeyXVZDPJNSDQCLTP-WSMHOCPVSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one 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

3-(2-methylcyclopentyl)-1,3-dihydroindol-2-one
CID 106986757
3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 91543672
3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one
CID 7059841
3-[(4-aminophenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90740050
3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173
3-[[(2S)-1-methoxypropan-2-yl]iminomethyl]-1,3-dihydroindol-2-one
CID 7059832
3-[(2-chlorophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
CID 6936861
3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
CID 7059823
(3S)-3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1,3-dihydroindol-2-one
CID 7059808
3-[(4-chloro-3-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90992179
3-[(3-hydroxy-4-methylphenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90708413
3-[[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]iminomethyl]-1,3-dihydroindol-2-one
CID 90798818

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one (CID 7059807) is 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one is C[C@H]1CCCC[C@@H]1/N=C/C1C(=O)Nc2ccccc21.
What is the InChIKey of 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one?
The InChIKey is XVZDPJNSDQCLTP-WSMHOCPVSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-2-4-8-14(11)17-10-13-12-7-3-5-9-15(12)18-16(13)19/h3,5,7,9-11,13-14H,2,4,6,8H2,1H3,(H,18,19)/b17-10+/t11-,13?,14-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one?
3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 7059807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).