N-(1,5-dioxopentan-2-yl)acetamide

C7H11NO3 — CID 20648199

IUPACN-(1,5-dioxopentan-2-yl)acetamide
SMILESCC(=O)NC(C=O)CCC=O
InChIInChI=1S/C7H11NO3/c1-6(11)8-7(5-10)3-2-4-9/h4-5,7H,2-3H2,1H3,(H,8,11)
InChIKeyNRFXYZPBBCMBFH-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.33
Rot. Bonds5

About N-(1,5-dioxopentan-2-yl)acetamide

N-(1,5-dioxopentan-2-yl)acetamide (PubChem CID 20648199) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is N-(1,5-dioxopentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dioxopentan-2-yl)acetamide
PubChem CID20648199
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC NameN-(1,5-dioxopentan-2-yl)acetamide
SMILESCC(=O)NC(C=O)CCC=O
InChIInChI=1S/C7H11NO3/c1-6(11)8-7(5-10)3-2-4-9/h4-5,7H,2-3H2,1H3,(H,8,11)
InChIKeyNRFXYZPBBCMBFH-UHFFFAOYSA-N
XLogP-0.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dioxopentan-2-yl)acetamide?
The IUPAC name of N-(1,5-dioxopentan-2-yl)acetamide (CID 20648199) is N-(1,5-dioxopentan-2-yl)acetamide.
What is the SMILES notation for N-(1,5-dioxopentan-2-yl)acetamide?
The canonical SMILES for N-(1,5-dioxopentan-2-yl)acetamide is CC(=O)NC(C=O)CCC=O.
What is the InChIKey of N-(1,5-dioxopentan-2-yl)acetamide?
The InChIKey is NRFXYZPBBCMBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(11)8-7(5-10)3-2-4-9/h4-5,7H,2-3H2,1H3,(H,8,11).
What are the key properties of N-(1,5-dioxopentan-2-yl)acetamide?
N-(1,5-dioxopentan-2-yl)acetamide has a molecular weight of 157.17 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dioxopentan-2-yl)acetamide is sourced from PubChem (CID 20648199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).