4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde

C15H15NO3 — CID 173386618

IUPAC4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C15H15NO3/c17-9-10-5-7-11(8-6-10)16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,9-11H,5-8H2
InChIKeyDHQFJFWWRICSCZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.04
Rot. Bonds2

About 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde

4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde (PubChem CID 173386618) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
PubChem CID173386618
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C15H15NO3/c17-9-10-5-7-11(8-6-10)16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,9-11H,5-8H2
InChIKeyDHQFJFWWRICSCZ-UHFFFAOYSA-N
XLogP2.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde 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

2-cyclodecylisoindole-1,3-dione
CID 123786237
2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]acetaldehyde
CID 174532424
2-[4-(piperidine-1-carbonyl)cyclohexyl]isoindole-1,3-dione
CID 1122069
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
2-cyclohexylisoindole-1,3-dione;iodozinc(1+)
CID 87664820
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
cis-(1R,3S)-3-(1,3-dioxoisoindol-2-yl)cyclopentane-1-carboxylic acid
CID 54550801
O-[4-(1,3-dioxoisoindol-2-yl)cyclohexyl] ethanethioate
CID 131739540
2-cyclohex-3-en-1-ylisoindole-1,3-dione
CID 67304537
2-cyclohexyl-6-[4-[4-(2-cyclohexyl-1,3-dioxobenzo[de]isoquinolin-6-yl)phenyl]phenyl]benzo[de]isoquinoline-1,3-dione
CID 137492349
2-(4-isocyano-4-methylcyclohexyl)isoindole-1,3-dione
CID 59068831
2-[5-(1,3-dioxoisoindol-2-yl)-1,3-dioxan-2-yl]acetaldehyde
CID 146503193

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde (CID 173386618) is 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde is O=CC1CCC(N2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde?
The InChIKey is DHQFJFWWRICSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-9-10-5-7-11(8-6-10)16-14(18)12-3-1-2-4-13(12)15(16)19/h1-4,9-11H,5-8H2.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde?
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 173386618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).