N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide

C10H12N2O3 — CID 70113185

IUPACN-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C1=CC(=O)NC1=O
InChIInChI=1S/C10H12N2O3/c1-3-7(11-8(13)4-2)6-5-9(14)12-10(6)15/h4-5,7H,2-3H2,1H3,(H,11,13)(H,12,14,15)
InChIKeyZBGUODUZCNVQQY-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.35
Rot. Bonds4

About N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide

N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide (PubChem CID 70113185) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide
PubChem CID70113185
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide
SMILESC=CC(=O)NC(CC)C1=CC(=O)NC1=O
InChIInChI=1S/C10H12N2O3/c1-3-7(11-8(13)4-2)6-5-9(14)12-10(6)15/h4-5,7H,2-3H2,1H3,(H,11,13)(H,12,14,15)
InChIKeyZBGUODUZCNVQQY-UHFFFAOYSA-N
XLogP-0.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide?
The IUPAC name of N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide (CID 70113185) is N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide.
What is the SMILES notation for N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide?
The canonical SMILES for N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide is C=CC(=O)NC(CC)C1=CC(=O)NC1=O.
What is the InChIKey of N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide?
The InChIKey is ZBGUODUZCNVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-7(11-8(13)4-2)6-5-9(14)12-10(6)15/h4-5,7H,2-3H2,1H3,(H,11,13)(H,12,14,15).
What are the key properties of N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide?
N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide has a molecular weight of 208.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dioxopyrrol-3-yl)propyl]prop-2-enamide is sourced from PubChem (CID 70113185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).