1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione

C19H24N2O3 — CID 145259226

IUPAC1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione
SMILESC=C1C=CC(=O)N1CC(C)C1CCC(C)C(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C19H24N2O3/c1-12-4-6-15(10-16(12)21-18(23)8-9-19(21)24)13(2)11-20-14(3)5-7-17(20)22/h5,7-9,12-13,15-16H,3-4,6,10-11H2,1-2H3
InChIKeyLMWGBGPMXGMHFK-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione

1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione (PubChem CID 145259226) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione
PubChem CID145259226
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione
SMILESC=C1C=CC(=O)N1CC(C)C1CCC(C)C(N2C(=O)C=CC2=O)C1
InChIInChI=1S/C19H24N2O3/c1-12-4-6-15(10-16(12)21-18(23)8-9-19(21)24)13(2)11-20-14(3)5-7-17(20)22/h5,7-9,12-13,15-16H,3-4,6,10-11H2,1-2H3
InChIKeyLMWGBGPMXGMHFK-UHFFFAOYSA-N
XLogP2.26
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.26
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-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione (CID 145259226) is 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione is C=C1C=CC(=O)N1CC(C)C1CCC(C)C(N2C(=O)C=CC2=O)C1.
What is the InChIKey of 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione?
The InChIKey is LMWGBGPMXGMHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-4-6-15(10-16(12)21-18(23)8-9-19(21)24)13(2)11-20-14(3)5-7-17(20)22/h5,7-9,12-13,15-16H,3-4,6,10-11H2,1-2H3.
What are the key properties of 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione?
1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione has a molecular weight of 328.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[1-(2-methylidene-5-oxopyrrol-1-yl)propan-2-yl]cyclohexyl]pyrrole-2,5-dione is sourced from PubChem (CID 145259226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).