N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide

C8H12N2O3 — CID 126759394

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide
SMILESO=CNCCCN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c11-6-9-4-1-5-10-7(12)2-3-8(10)13/h6H,1-5H2,(H,9,11)
InChIKeyKSKADWWJQCZRFV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.73
Rot. Bonds5

About N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide

N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide (PubChem CID 126759394) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide
PubChem CID126759394
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide
SMILESO=CNCCCN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c11-6-9-4-1-5-10-7(12)2-3-8(10)13/h6H,1-5H2,(H,9,11)
InChIKeyKSKADWWJQCZRFV-UHFFFAOYSA-N
XLogP-0.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
CID 129397
1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
2-Oxo-1-pyrrolidinebutyramide
CID 294855
3-(2,5-Dioxopyrrolidin-1-yl)propanamide
CID 13727242
1-(3-Aminopropyl)pyrrolidine-2,5-dione--hydrogen chloride (1/1)
CID 50944229
3-(2,5-dioxopyrrolidin-1-yl)-N-methylpropanamide
CID 60667762
N-(2,2-dimethylpropyl)-3-(2,5-dioxo-1-pyrrolidinyl)propanamide
CID 56738112
1-(5-Aminopentyl)pyrrolidine-2,5-dione
CID 61524719
n-(Sec-butyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47009982
1-(2-{[2-({2-[(2-Aminoethyl)amino]ethyl}amino)ethyl]amino}ethyl)pyrrolidine-2,5-dione
CID 104145
1-(2-Aminoethyl)pyrrolidine-2,5-dione
CID 13828989
1-(3-Aminopropyl)pyrrolidine-2,5-dione
CID 16788188

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide (CID 126759394) is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide is O=CNCCCN1C(=O)CCC1=O.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide?
The InChIKey is KSKADWWJQCZRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-6-9-4-1-5-10-7(12)2-3-8(10)13/h6H,1-5H2,(H,9,11).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide?
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide has a molecular weight of 184.19 g/mol, XLogP of -0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]formamide is sourced from PubChem (CID 126759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).