(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate

C16H18N2O6 — CID 88690827

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)ON2C(=O)CCC2=O)CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C16H18N2O6/c1-16(15(23)24-18-13(21)4-5-14(18)22)8-6-10(7-9-16)17-11(19)2-3-12(17)20/h2-3,10H,4-9H2,1H3
InChIKeyGRDFDXGMRVJCPN-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.47
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate (PubChem CID 88690827) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate
PubChem CID88690827
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate
SMILESCC1(C(=O)ON2C(=O)CCC2=O)CCC(N2C(=O)C=CC2=O)CC1
InChIInChI=1S/C16H18N2O6/c1-16(15(23)24-18-13(21)4-5-14(18)22)8-6-10(7-9-16)17-11(19)2-3-12(17)20/h2-3,10H,4-9H2,1H3
InChIKeyGRDFDXGMRVJCPN-UHFFFAOYSA-N
XLogP0.47
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate (CID 88690827) is (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate is CC1(C(=O)ON2C(=O)CCC2=O)CCC(N2C(=O)C=CC2=O)CC1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate?
The InChIKey is GRDFDXGMRVJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-16(15(23)24-18-13(21)4-5-14(18)22)8-6-10(7-9-16)17-11(19)2-3-12(17)20/h2-3,10H,4-9H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 0.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(2,5-dioxopyrrol-1-yl)-1-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 88690827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).