N-(2,6-dioxoheptan-4-yl)prop-2-enamide

C10H15NO3 — CID 87205206

IUPACN-(2,6-dioxoheptan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC(C)=O)CC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-10(14)11-9(5-7(2)12)6-8(3)13/h4,9H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyGKBVEZINIGNPHJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.62
Rot. Bonds6

About N-(2,6-dioxoheptan-4-yl)prop-2-enamide

N-(2,6-dioxoheptan-4-yl)prop-2-enamide (PubChem CID 87205206) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(2,6-dioxoheptan-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,6-dioxoheptan-4-yl)prop-2-enamide
PubChem CID87205206
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(2,6-dioxoheptan-4-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC(C)=O)CC(C)=O
InChIInChI=1S/C10H15NO3/c1-4-10(14)11-9(5-7(2)12)6-8(3)13/h4,9H,1,5-6H2,2-3H3,(H,11,14)
InChIKeyGKBVEZINIGNPHJ-UHFFFAOYSA-N
XLogP0.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxoheptan-4-yl)prop-2-enamide?
The IUPAC name of N-(2,6-dioxoheptan-4-yl)prop-2-enamide (CID 87205206) is N-(2,6-dioxoheptan-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2,6-dioxoheptan-4-yl)prop-2-enamide?
The canonical SMILES for N-(2,6-dioxoheptan-4-yl)prop-2-enamide is C=CC(=O)NC(CC(C)=O)CC(C)=O.
What is the InChIKey of N-(2,6-dioxoheptan-4-yl)prop-2-enamide?
The InChIKey is GKBVEZINIGNPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-10(14)11-9(5-7(2)12)6-8(3)13/h4,9H,1,5-6H2,2-3H3,(H,11,14).
What are the key properties of N-(2,6-dioxoheptan-4-yl)prop-2-enamide?
N-(2,6-dioxoheptan-4-yl)prop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxoheptan-4-yl)prop-2-enamide is sourced from PubChem (CID 87205206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).