1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione

C19H29NO2 — CID 138493592

IUPAC1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
SMILESCCCC1CCC(C2CCC(N3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C19H29NO2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20-18(21)12-13-19(20)22/h12-17H,2-11H2,1H3
InChIKeyWBPJCRXJABFWOB-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione

1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione (PubChem CID 138493592) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
PubChem CID138493592
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione
SMILESCCCC1CCC(C2CCC(N3C(=O)C=CC3=O)CC2)CC1
InChIInChI=1S/C19H29NO2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20-18(21)12-13-19(20)22/h12-17H,2-11H2,1H3
InChIKeyWBPJCRXJABFWOB-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione (CID 138493592) is 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione is CCCC1CCC(C2CCC(N3C(=O)C=CC3=O)CC2)CC1.
What is the InChIKey of 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione?
The InChIKey is WBPJCRXJABFWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)20-18(21)12-13-19(20)22/h12-17H,2-11H2,1H3.
What are the key properties of 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione?
1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione has a molecular weight of 303.45 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylcyclohexyl)cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 138493592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).