methyl 4-acetamidocyclopentene-1-carboxylate

C9H13NO3 — CID 19822736

IUPACmethyl 4-acetamidocyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCC(NC(C)=O)C1
InChIInChI=1S/C9H13NO3/c1-6(11)10-8-4-3-7(5-8)9(12)13-2/h3,8H,4-5H2,1-2H3,(H,10,11)
InChIKeyURMZTWXZEYVIRD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.38
Rot. Bonds2

About methyl 4-acetamidocyclopentene-1-carboxylate

methyl 4-acetamidocyclopentene-1-carboxylate (PubChem CID 19822736) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl 4-acetamidocyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetamidocyclopentene-1-carboxylate
PubChem CID19822736
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl 4-acetamidocyclopentene-1-carboxylate
SMILESCOC(=O)C1=CCC(NC(C)=O)C1
InChIInChI=1S/C9H13NO3/c1-6(11)10-8-4-3-7(5-8)9(12)13-2/h3,8H,4-5H2,1-2H3,(H,10,11)
InChIKeyURMZTWXZEYVIRD-UHFFFAOYSA-N
XLogP0.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamidocyclopentene-1-carboxylate?
The IUPAC name of methyl 4-acetamidocyclopentene-1-carboxylate (CID 19822736) is methyl 4-acetamidocyclopentene-1-carboxylate.
What is the SMILES notation for methyl 4-acetamidocyclopentene-1-carboxylate?
The canonical SMILES for methyl 4-acetamidocyclopentene-1-carboxylate is COC(=O)C1=CCC(NC(C)=O)C1.
What is the InChIKey of methyl 4-acetamidocyclopentene-1-carboxylate?
The InChIKey is URMZTWXZEYVIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(11)10-8-4-3-7(5-8)9(12)13-2/h3,8H,4-5H2,1-2H3,(H,10,11).
What are the key properties of methyl 4-acetamidocyclopentene-1-carboxylate?
methyl 4-acetamidocyclopentene-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamidocyclopentene-1-carboxylate is sourced from PubChem (CID 19822736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).