N-(4-methylidene-5-oxooxolan-3-yl)acetamide

C7H9NO3 — CID 14102066

IUPACN-(4-methylidene-5-oxooxolan-3-yl)acetamide
SMILESC=C1C(=O)OCC1NC(C)=O
InChIInChI=1S/C7H9NO3/c1-4-6(8-5(2)9)3-11-7(4)10/h6H,1,3H2,2H3,(H,8,9)
InChIKeyZFDCQPLPBWAIGD-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.40
Rot. Bonds1

About N-(4-methylidene-5-oxooxolan-3-yl)acetamide

N-(4-methylidene-5-oxooxolan-3-yl)acetamide (PubChem CID 14102066) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is N-(4-methylidene-5-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylidene-5-oxooxolan-3-yl)acetamide
PubChem CID14102066
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC NameN-(4-methylidene-5-oxooxolan-3-yl)acetamide
SMILESC=C1C(=O)OCC1NC(C)=O
InChIInChI=1S/C7H9NO3/c1-4-6(8-5(2)9)3-11-7(4)10/h6H,1,3H2,2H3,(H,8,9)
InChIKeyZFDCQPLPBWAIGD-UHFFFAOYSA-N
XLogP-0.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.40
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-(4-methylidene-5-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(4-methylidene-5-oxooxolan-3-yl)acetamide (CID 14102066) is N-(4-methylidene-5-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(4-methylidene-5-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(4-methylidene-5-oxooxolan-3-yl)acetamide is C=C1C(=O)OCC1NC(C)=O.
What is the InChIKey of N-(4-methylidene-5-oxooxolan-3-yl)acetamide?
The InChIKey is ZFDCQPLPBWAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-6(8-5(2)9)3-11-7(4)10/h6H,1,3H2,2H3,(H,8,9).
What are the key properties of N-(4-methylidene-5-oxooxolan-3-yl)acetamide?
N-(4-methylidene-5-oxooxolan-3-yl)acetamide has a molecular weight of 155.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylidene-5-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 14102066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).