N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide

C10H15N3O3 — CID 116656505

IUPACN-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESCN1C(=O)CC(NC(=O)N2CCCC2)C1=O
InChIInChI=1S/C10H15N3O3/c1-12-8(14)6-7(9(12)15)11-10(16)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,16)
InChIKeyDHNQQOPFEKMHAW-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.45
Rot. Bonds1

About N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide

N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 116656505) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
PubChem CID116656505
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
SMILESCN1C(=O)CC(NC(=O)N2CCCC2)C1=O
InChIInChI=1S/C10H15N3O3/c1-12-8(14)6-7(9(12)15)11-10(16)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,16)
InChIKeyDHNQQOPFEKMHAW-UHFFFAOYSA-N
XLogP-0.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.45
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

(3R)-1-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120954
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
(2R,4R)-4-hydroxy-1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79014069
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-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
CID 164638967
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
CID 43638674
1-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163344
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605482
tert-butyl 2-[2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 113248704

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide (CID 116656505) is N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide is CN1C(=O)CC(NC(=O)N2CCCC2)C1=O.
What is the InChIKey of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is DHNQQOPFEKMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-12-8(14)6-7(9(12)15)11-10(16)13-4-2-3-5-13/h7H,2-6H2,1H3,(H,11,16).
What are the key properties of N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide?
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 116656505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).