3,4-dichloro-1-cyclohexylpyrrole-2,5-dione

C10H11Cl2NO2 — CID 729254

IUPAC3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H11Cl2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFPZYIQNQKGJNMD-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.38
Rot. Bonds1

About 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione

3,4-dichloro-1-cyclohexylpyrrole-2,5-dione (PubChem CID 729254) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
PubChem CID729254
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C10H11Cl2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyFPZYIQNQKGJNMD-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 110584204
3-chloro-1-cyclohexyl-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 645488
3-chloro-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 15006064
10,11,14,15,21,22,25,26-octachloro-7,18-dicyclohexyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 58194115
4,7-dichloro-2-cyclopentylisoindole-1,3-dione
CID 25144342
4,5,6,7-tetrabromo-2-cyclohexylisoindole-1,3-dione
CID 17386857
3-chloro-1-cyclohexyl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110583044
3-chloro-1-cyclododecyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583180
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-cyclohexyl-4,5,6,7-tetrafluoroisoindole-1,3-dione
CID 14274184
3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
CID 2791451
1-cycloundecylpiperidine-2,6-dione
CID 166752718

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione?
The IUPAC name of 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione (CID 729254) is 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione.
What is the SMILES notation for 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione?
The canonical SMILES for 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione is O=C1C(Cl)=C(Cl)C(=O)N1C1CCCCC1.
What is the InChIKey of 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione?
The InChIKey is FPZYIQNQKGJNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c11-7-8(12)10(15)13(9(7)14)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione?
3,4-dichloro-1-cyclohexylpyrrole-2,5-dione has a molecular weight of 248.11 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-1-cyclohexylpyrrole-2,5-dione is sourced from PubChem (CID 729254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).