1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione

C14H21NO3 — CID 177094525

IUPAC1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)15-12(16)8-9-13(15)17/h8-11H,4-7H2,1-3H3
InChIKeyCTLRWZSVGIRCKH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione

1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione (PubChem CID 177094525) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione
PubChem CID177094525
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione
SMILESCC(C)(C)OC1CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)15-12(16)8-9-13(15)17/h8-11H,4-7H2,1-3H3
InChIKeyCTLRWZSVGIRCKH-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione (CID 177094525) is 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione is CC(C)(C)OC1CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is CTLRWZSVGIRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-11-6-4-10(5-7-11)15-12(16)8-9-13(15)17/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione?
1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 251.33 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 1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 177094525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).