methyl (1R)-3-iminocyclopentane-1-carboxylate

C7H11NO2 — CID 123242262

IUPACmethyl (1R)-3-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h5,8H,2-4H2,1H3/b8-6+/t5-/m1/s1
InChIKeyQHZYZVHRXCPCKI-KITRQZPWSA-N
MW141.17 g/mol
LogP0.98
Rot. Bonds1

About methyl (1R)-3-iminocyclopentane-1-carboxylate

methyl (1R)-3-iminocyclopentane-1-carboxylate (PubChem CID 123242262) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (1R)-3-iminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-3-iminocyclopentane-1-carboxylate
PubChem CID123242262
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (1R)-3-iminocyclopentane-1-carboxylate
SMILES[H]/N=C1\CC[C@@H](C(=O)OC)C1
InChIInChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h5,8H,2-4H2,1H3/b8-6+/t5-/m1/s1
InChIKeyQHZYZVHRXCPCKI-KITRQZPWSA-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 (1R)-3-iminocyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-3-iminocyclopentane-1-carboxylate (CID 123242262) is methyl (1R)-3-iminocyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-3-iminocyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-3-iminocyclopentane-1-carboxylate is [H]/N=C1\CC[C@@H](C(=O)OC)C1.
What is the InChIKey of methyl (1R)-3-iminocyclopentane-1-carboxylate?
The InChIKey is QHZYZVHRXCPCKI-KITRQZPWSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-7(9)5-2-3-6(8)4-5/h5,8H,2-4H2,1H3/b8-6+/t5-/m1/s1.
What are the key properties of methyl (1R)-3-iminocyclopentane-1-carboxylate?
methyl (1R)-3-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 (1R)-3-iminocyclopentane-1-carboxylate is sourced from PubChem (CID 123242262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).