methyl 2-iminocyclopentane-1-carboxylate

C7H11NO2 — CID 91580598

IUPACmethyl 2-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-3-2-4-6(5)8/h5,8H,2-4H2,1H3/b8-6+
InChIKeyUYYQAFLAXOVBOI-SOFGYWHQSA-N
MW141.17 g/mol
LogP0.98
Rot. Bonds1

About methyl 2-iminocyclopentane-1-carboxylate

methyl 2-iminocyclopentane-1-carboxylate (PubChem CID 91580598) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl 2-iminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-iminocyclopentane-1-carboxylate
PubChem CID91580598
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl 2-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CCCC1C(=O)OC
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-3-2-4-6(5)8/h5,8H,2-4H2,1H3/b8-6+
InChIKeyUYYQAFLAXOVBOI-SOFGYWHQSA-N
XLogP0.98
TPSA50.15 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-iminocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-iminocyclopentane-1-carboxylate (CID 91580598) is methyl 2-iminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-iminocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-iminocyclopentane-1-carboxylate is [H]/N=C1\CCCC1C(=O)OC.
What is the InChIKey of methyl 2-iminocyclopentane-1-carboxylate?
The InChIKey is UYYQAFLAXOVBOI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)5-3-2-4-6(5)8/h5,8H,2-4H2,1H3/b8-6+.
What are the key properties of methyl 2-iminocyclopentane-1-carboxylate?
methyl 2-iminocyclopentane-1-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iminocyclopentane-1-carboxylate is sourced from PubChem (CID 91580598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).