1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea

C12H19N3O3 — CID 164638967

IUPAC1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
SMILESCN1C(=O)C[C@H](NC(=O)N(C)C2CCCC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-14(8-5-3-4-6-8)12(18)13-9-7-10(16)15(2)11(9)17/h8-9H,3-7H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyBHEOTDFFKLYTFN-VIFPVBQESA-N
MW253.30 g/mol
LogP0.33
Rot. Bonds2

About 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea

1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea (PubChem CID 164638967) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
PubChem CID164638967
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
SMILESCN1C(=O)C[C@H](NC(=O)N(C)C2CCCC2)C1=O
InChIInChI=1S/C12H19N3O3/c1-14(8-5-3-4-6-8)12(18)13-9-7-10(16)15(2)11(9)17/h8-9H,3-7H2,1-2H3,(H,13,18)/t9-/m0/s1
InChIKeyBHEOTDFFKLYTFN-VIFPVBQESA-N
XLogP0.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.33
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

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-oxopropanoic acid
CID 114898685
1-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-propan-2-ylthiourea
CID 116509145
3-(1-acetylpiperidin-4-yl)-1-cyclohexyl-1-methylurea
CID 47240964
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163344
1-cyclohexyl-1-methyl-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 16801412
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione
CID 79504566
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673
1-cyclobutyl-1,3-dimethylurea
CID 66861755

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea?
The IUPAC name of 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea (CID 164638967) is 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea is CN1C(=O)C[C@H](NC(=O)N(C)C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea?
The InChIKey is BHEOTDFFKLYTFN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O3/c1-14(8-5-3-4-6-8)12(18)13-9-7-10(16)15(2)11(9)17/h8-9H,3-7H2,1-2H3,(H,13,18)/t9-/m0/s1.
What are the key properties of 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea?
1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea has a molecular weight of 253.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea is sourced from PubChem (CID 164638967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).