methyl (2Z)-2-pyrrolidin-2-ylideneacetate

C7H11NO2 — CID 10725438

IUPACmethyl (2Z)-2-pyrrolidin-2-ylideneacetate
SMILESCOC(=O)/C=C1/CCCN1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h5,8H,2-4H2,1H3/b6-5-
InChIKeyJDVWLHHVKYUADU-WAYWQWQTSA-N
MW141.17 g/mol
LogP0.43
Rot. Bonds1

About methyl (2Z)-2-pyrrolidin-2-ylideneacetate

methyl (2Z)-2-pyrrolidin-2-ylideneacetate (PubChem CID 10725438) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2Z)-2-pyrrolidin-2-ylideneacetate.

Molecular Properties

Compound Namemethyl (2Z)-2-pyrrolidin-2-ylideneacetate
PubChem CID10725438
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2Z)-2-pyrrolidin-2-ylideneacetate
SMILESCOC(=O)/C=C1/CCCN1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h5,8H,2-4H2,1H3/b6-5-
InChIKeyJDVWLHHVKYUADU-WAYWQWQTSA-N
XLogP0.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.43
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 methyl (2Z)-2-pyrrolidin-2-ylideneacetate?
The IUPAC name of methyl (2Z)-2-pyrrolidin-2-ylideneacetate (CID 10725438) is methyl (2Z)-2-pyrrolidin-2-ylideneacetate.
What is the SMILES notation for methyl (2Z)-2-pyrrolidin-2-ylideneacetate?
The canonical SMILES for methyl (2Z)-2-pyrrolidin-2-ylideneacetate is COC(=O)/C=C1/CCCN1.
What is the InChIKey of methyl (2Z)-2-pyrrolidin-2-ylideneacetate?
The InChIKey is JDVWLHHVKYUADU-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)5-6-3-2-4-8-6/h5,8H,2-4H2,1H3/b6-5-.
What are the key properties of methyl (2Z)-2-pyrrolidin-2-ylideneacetate?
methyl (2Z)-2-pyrrolidin-2-ylideneacetate has a molecular weight of 141.17 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-pyrrolidin-2-ylideneacetate is sourced from PubChem (CID 10725438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).