3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide

C12H18N4O5 — CID 59257569

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide
SMILESNNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O5/c13-15-10(18)4-7-21-8-5-14-9(17)3-6-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18)
InChIKeySBTVAWUCTXERDB-UHFFFAOYSA-N
MW298.30 g/mol
LogP-2.19
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide (PubChem CID 59257569) has the molecular formula C12H18N4O5 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide
PubChem CID59257569
Molecular FormulaC12H18N4O5
Molecular Weight298.30 g/mol
Exact Mass298.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide
SMILESNNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N4O5/c13-15-10(18)4-7-21-8-5-14-9(17)3-6-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18)
InChIKeySBTVAWUCTXERDB-UHFFFAOYSA-N
XLogP-2.19
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide (CID 59257569) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide is NNC(=O)CCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide?
The InChIKey is SBTVAWUCTXERDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O5/c13-15-10(18)4-7-21-8-5-14-9(17)3-6-16-11(19)1-2-12(16)20/h1-2H,3-8,13H2,(H,14,17)(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide has a molecular weight of 298.30 g/mol, XLogP of -2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-(3-hydrazinyl-3-oxopropoxy)ethyl]propanamide is sourced from PubChem (CID 59257569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).