(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate

C12H17NO4 — CID 101212712

IUPAC(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-8(14)17-10-7-11(15)13(12(10)16)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyIPFAHUIDGOSLRC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.01
Rot. Bonds2

About (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate

(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate (PubChem CID 101212712) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
PubChem CID101212712
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate
SMILESCC(=O)OC1CC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H17NO4/c1-8(14)17-10-7-11(15)13(12(10)16)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3
InChIKeyIPFAHUIDGOSLRC-UHFFFAOYSA-N
XLogP1.01
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-[(2R)-2-hydroxycyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 143380202
[(3S)-1-(2-chloro-2-oxoethyl)-2,5-dioxopyrrolidin-3-yl] acetate
CID 14097836
[(3R)-1-[(1R,2R)-2-[2-(4-methoxy-3-methylphenyl)ethoxy]cyclohexyl]-2,5-dioxopyrrolidin-3-yl] acetate
CID 70642133
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-2-cyclopropylacetic acid
CID 62695219
1-cycloheptyl-3-(3-methylbut-2-enylamino)pyrrolidine-2,5-dione
CID 106188046
1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721248
2-[(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638689
ethyl 3-cyclohexyl-2-[(3S)-1-cyclohexyl-2,5-dioxopyrrolidin-3-yl]-3-oxopropanoate
CID 102521677
2-[(1-cycloheptyl-2,5-dioxopyrrolidin-3-yl)amino]acetamide
CID 43637319
1-cyclohexyl-3-(cyclopropylmethylamino)pyrrolidine-2,5-dione
CID 43637329
3-(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoic acid
CID 43638375
1-cyclohexyl-3-[(1-methylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 113485379

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate?
The IUPAC name of (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate (CID 101212712) is (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate.
What is the SMILES notation for (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate?
The canonical SMILES for (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate is CC(=O)OC1CC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate?
The InChIKey is IPFAHUIDGOSLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(14)17-10-7-11(15)13(12(10)16)9-5-3-2-4-6-9/h9-10H,2-7H2,1H3.
What are the key properties of (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate?
(1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate has a molecular weight of 239.27 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dioxopyrrolidin-3-yl) acetate is sourced from PubChem (CID 101212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).