methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate

C11H13NO5 — CID 85054566

IUPACmethyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate
SMILESCOC(=O)C=C1C=CC2OC(C)(C(N)=O)OC12
InChIInChI=1S/C11H13NO5/c1-11(10(12)14)16-7-4-3-6(9(7)17-11)5-8(13)15-2/h3-5,7,9H,1-2H3,(H2,12,14)
InChIKeyCARRZAASGLNADG-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.36
Rot. Bonds2

About methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate

methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate (PubChem CID 85054566) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate
PubChem CID85054566
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate
SMILESCOC(=O)C=C1C=CC2OC(C)(C(N)=O)OC12
InChIInChI=1S/C11H13NO5/c1-11(10(12)14)16-7-4-3-6(9(7)17-11)5-8(13)15-2/h3-5,7,9H,1-2H3,(H2,12,14)
InChIKeyCARRZAASGLNADG-UHFFFAOYSA-N
XLogP-0.36
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate?
The IUPAC name of methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate (CID 85054566) is methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate.
What is the SMILES notation for methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate?
The canonical SMILES for methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate is COC(=O)C=C1C=CC2OC(C)(C(N)=O)OC12.
What is the InChIKey of methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate?
The InChIKey is CARRZAASGLNADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-11(10(12)14)16-7-4-3-6(9(7)17-11)5-8(13)15-2/h3-5,7,9H,1-2H3,(H2,12,14).
What are the key properties of methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate?
methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate has a molecular weight of 239.23 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-carbamoyl-2-methyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-ylidene)acetate is sourced from PubChem (CID 85054566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).