ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 145431015

IUPACethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC.CC1CC(=O)N(CC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C13H19NO4.C2H6/c1-8-6-11(15)14(12(8)16)7-9-2-4-10(5-3-9)13(17)18;1-2/h8-10H,2-7H2,1H3,(H,17,18);1-2H3
InChIKeyCGCUYHAOAIWWDO-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.30
Rot. Bonds3

About ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid

ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 145431015) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nameethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID145431015
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Nameethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCC.CC1CC(=O)N(CC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C13H19NO4.C2H6/c1-8-6-11(15)14(12(8)16)7-9-2-4-10(5-3-9)13(17)18;1-2/h8-10H,2-7H2,1H3,(H,17,18);1-2H3
InChIKeyCGCUYHAOAIWWDO-UHFFFAOYSA-N
XLogP2.30
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
N-butyl-4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxamide
CID 145076971
1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 62658566
4-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 79526416
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62299952
1-[(4-acetylcyclohexyl)methyl]-3-ethylpyrrolidine-2,5-dione;ethane;methane
CID 154687931
1-[(4-acetylcyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione;4-methyl-2-(5-oxohexyl)cyclopentane-1,3-dione
CID 159894172
4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylic acid;methane;propan-2-one
CID 143503525
1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 106131586
1-[(4-acetylcyclohexyl)methyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 18711322
ethane;methane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-[6-(4-methylpiperidin-1-yl)-6-oxohexyl]cyclohexane-1-carboxamide;molecular hydrogen
CID 145076822
4-[(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 170672640

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid (CID 145431015) is ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid is CC.CC1CC(=O)N(CC2CCC(C(=O)O)CC2)C1=O.
What is the InChIKey of ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is CGCUYHAOAIWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4.C2H6/c1-8-6-11(15)14(12(8)16)7-9-2-4-10(5-3-9)13(17)18;1-2/h8-10H,2-7H2,1H3,(H,17,18);1-2H3.
What are the key properties of ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid?
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 145431015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).