2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one

C16H19NO2 — CID 64911476

IUPAC2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CC1CCCCC1O
InChIInChI=1S/C16H19NO2/c1-11-13-7-3-4-8-14(13)16(19)17(11)10-12-6-2-5-9-15(12)18/h3-4,7-8,12,15,18H,1-2,5-6,9-10H2
InChIKeySLURBOXZWJTTRP-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.66
Rot. Bonds2

About 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one

2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one (PubChem CID 64911476) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
PubChem CID64911476
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CC1CCCCC1O
InChIInChI=1S/C16H19NO2/c1-11-13-7-3-4-8-14(13)16(19)17(11)10-12-6-2-5-9-15(12)18/h3-4,7-8,12,15,18H,1-2,5-6,9-10H2
InChIKeySLURBOXZWJTTRP-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-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

N-cyclopentyl-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18136582
2-[(2-hydroxycyclohexyl)methyl]-5-methylisoindole-1,3-dione
CID 64911474
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
(3S)-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 119136464
6-methyl-1-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperidine-3-carboxylic acid
CID 122113067
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156
2-(5-hydroxypentyl)-3-methylideneisoindol-1-one
CID 107319609
2-[[(1S,5R,9aS)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl]isoindole-1,3-dione
CID 776178
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 78853610
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 94122073
3-methylidene-2-(2-sulfanylethyl)isoindol-1-one
CID 142003897

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one?
The IUPAC name of 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one (CID 64911476) is 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1CC1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one?
The InChIKey is SLURBOXZWJTTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-13-7-3-4-8-14(13)16(19)17(11)10-12-6-2-5-9-15(12)18/h3-4,7-8,12,15,18H,1-2,5-6,9-10H2.
What are the key properties of 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one?
2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one has a molecular weight of 257.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one is sourced from PubChem (CID 64911476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).