3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide

C8H9N2O3PS — CID 58932747

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCP=S
InChIInChI=1S/C8H9N2O3PS/c11-6(9-5-14-15)3-4-10-7(12)1-2-8(10)13/h1-2H,3-5H2,(H,9,11)
InChIKeyRVTDIVBIPBPNHF-UHFFFAOYSA-N
MW244.21 g/mol
LogP-0.22
Rot. Bonds5

About 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide (PubChem CID 58932747) has the molecular formula C8H9N2O3PS and a molecular weight of 244.21 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide
PubChem CID58932747
Molecular FormulaC8H9N2O3PS
Molecular Weight244.21 g/mol
Exact Mass244.01
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCP=S
InChIInChI=1S/C8H9N2O3PS/c11-6(9-5-14-15)3-4-10-7(12)1-2-8(10)13/h1-2H,3-5H2,(H,9,11)
InChIKeyRVTDIVBIPBPNHF-UHFFFAOYSA-N
XLogP-0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', '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-(thiophosphorosomethyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide (CID 58932747) is 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide is O=C(CCN1C(=O)C=CC1=O)NCP=S.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide?
The InChIKey is RVTDIVBIPBPNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2O3PS/c11-6(9-5-14-15)3-4-10-7(12)1-2-8(10)13/h1-2H,3-5H2,(H,9,11).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide has a molecular weight of 244.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(thiophosphorosomethyl)propanamide is sourced from PubChem (CID 58932747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).