3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide

C13H21N4O4P — CID 71081861

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide
SMILESNNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)P
InChIInChI=1S/C13H21N4O4P/c14-16-9(13(21)22)3-1-2-7-15-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9,16H,1-3,6-8,14,22H2,(H,15,18)
InChIKeyUJWYTZNWESWXTM-UHFFFAOYSA-N
MW328.31 g/mol
LogP-1.18
Rot. Bonds10

About 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide (PubChem CID 71081861) has the molecular formula C13H21N4O4P and a molecular weight of 328.31 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide
PubChem CID71081861
Molecular FormulaC13H21N4O4P
Molecular Weight328.31 g/mol
Exact Mass328.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide
SMILESNNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)P
InChIInChI=1S/C13H21N4O4P/c14-16-9(13(21)22)3-1-2-7-15-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9,16H,1-3,6-8,14,22H2,(H,15,18)
InChIKeyUJWYTZNWESWXTM-UHFFFAOYSA-N
XLogP-1.18
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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': '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-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide (CID 71081861) is 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide is NNC(CCCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)P.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide?
The InChIKey is UJWYTZNWESWXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N4O4P/c14-16-9(13(21)22)3-1-2-7-15-10(18)6-8-17-11(19)4-5-12(17)20/h4-5,9,16H,1-3,6-8,14,22H2,(H,15,18).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide has a molecular weight of 328.31 g/mol, XLogP of -1.18, 10 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-(5-hydrazinyl-6-oxo-6-phosphanylhexyl)propanamide is sourced from PubChem (CID 71081861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).