2-(4-chlorononan-5-yl)isoindole-1,3-dione

C17H22ClNO2 — CID 86194324

IUPAC2-(4-chlorononan-5-yl)isoindole-1,3-dione
SMILESCCCCC(C(Cl)CCC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22ClNO2/c1-3-5-11-15(14(18)8-4-2)19-16(20)12-9-6-7-10-13(12)17(19)21/h6-7,9-10,14-15H,3-5,8,11H2,1-2H3
InChIKeyRQRWLFRGZFKXAD-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.25
Rot. Bonds7

About 2-(4-chlorononan-5-yl)isoindole-1,3-dione

2-(4-chlorononan-5-yl)isoindole-1,3-dione (PubChem CID 86194324) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorononan-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-chlorononan-5-yl)isoindole-1,3-dione
PubChem CID86194324
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-(4-chlorononan-5-yl)isoindole-1,3-dione
SMILESCCCCC(C(Cl)CCC)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22ClNO2/c1-3-5-11-15(14(18)8-4-2)19-16(20)12-9-6-7-10-13(12)17(19)21/h6-7,9-10,14-15H,3-5,8,11H2,1-2H3
InChIKeyRQRWLFRGZFKXAD-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chlorononan-4-yl)isoindole-1,3-dione
CID 86194296
2-(5-bromononan-4-yl)isoindole-1,3-dione
CID 86194316
2-(1-fluoropentyl)isoindole-1,3-dione
CID 126495372
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
2-[(3R)-octan-3-yl]isoindole-1,3-dione
CID 102066617
2-(1-bromoundecyl)isoindole-1,3-dione
CID 146464278
2-(1,3-dioxoisoindol-2-yl)pentanal
CID 171511019
2-oct-1-yn-3-ylisoindole-1,3-dione
CID 11368854
tributyl-[(1,3-dioxoisoindol-2-yl)methyl]phosphanium bromide
CID 22165400
2-(1-hydroxyoctadecan-2-yl)isoindole-1,3-dione
CID 15354128
2-[2-(dihexylamino)-1-(1,3-dioxoisoindol-2-yl)hexyl]isoindole-1,3-dione
CID 122368949

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorononan-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(4-chlorononan-5-yl)isoindole-1,3-dione (CID 86194324) is 2-(4-chlorononan-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-chlorononan-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-chlorononan-5-yl)isoindole-1,3-dione is CCCCC(C(Cl)CCC)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(4-chlorononan-5-yl)isoindole-1,3-dione?
The InChIKey is RQRWLFRGZFKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-3-5-11-15(14(18)8-4-2)19-16(20)12-9-6-7-10-13(12)17(19)21/h6-7,9-10,14-15H,3-5,8,11H2,1-2H3.
What are the key properties of 2-(4-chlorononan-5-yl)isoindole-1,3-dione?
2-(4-chlorononan-5-yl)isoindole-1,3-dione has a molecular weight of 307.82 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorononan-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 86194324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).