6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione

C16H23NO2 — CID 163949892

IUPAC6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
SMILESCC1(C23CCCC2CC3)CCC2C(=O)NC(=O)C2C1
InChIInChI=1S/C16H23NO2/c1-15(16-6-2-3-10(16)4-8-16)7-5-11-12(9-15)14(19)17-13(11)18/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyRYJWKCMCGXWWTJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.65
Rot. Bonds1

About 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione

6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione (PubChem CID 163949892) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione.

Molecular Properties

Compound Name6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
PubChem CID163949892
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione
SMILESCC1(C23CCCC2CC3)CCC2C(=O)NC(=O)C2C1
InChIInChI=1S/C16H23NO2/c1-15(16-6-2-3-10(16)4-8-16)7-5-11-12(9-15)14(19)17-13(11)18/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyRYJWKCMCGXWWTJ-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione 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

3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;dihydrate;hydrochloride
CID 141446961
7-methyltricyclo[5.4.0.01,10]undecane
CID 123887295
5-cyclopentyl-5-methylpiperidin-2-one
CID 102737198
(1S,5S,7S)-7-methyl-8,10-diazatricyclo[5.2.2.01,5]undecane-9,11-dione
CID 130840841
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413421
5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 119053641
4-tert-butyl-5,5-dimethyl-4a,6,7,7a-tetrahydro-4H-cyclopenta[c]pyridine-1,3-dione
CID 123805396
(2aR,5aR,9aS)-5a-methyl-2,2a,4,5,6,7,8,9-octahydro-1H-cyclobuta[j]naphthalen-3-one
CID 14759938
(3aS,4aR,7aS,8aR)-3a,4,4a,7a,8,8a-hexahydropyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 102422386
(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
CID 10536289
6a-methyl-2,3,3a,4,5,6-hexahydropentalen-1-one
CID 13215924

Frequently Asked Questions

What is the IUPAC name of 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione?
The IUPAC name of 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione (CID 163949892) is 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione.
What is the SMILES notation for 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione?
The canonical SMILES for 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione is CC1(C23CCCC2CC3)CCC2C(=O)NC(=O)C2C1.
What is the InChIKey of 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione?
The InChIKey is RYJWKCMCGXWWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(16-6-2-3-10(16)4-8-16)7-5-11-12(9-15)14(19)17-13(11)18/h10-12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione?
6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione has a molecular weight of 261.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bicyclo[3.2.0]heptanyl)-6-methyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione is sourced from PubChem (CID 163949892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).