methyl 2-iminocyclohexane-1-carboxylate

C8H13NO2 — CID 57245408

IUPACmethyl 2-iminocyclohexane-1-carboxylate
SMILES[H]/N=C1\CCCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3/b9-7+
InChIKeyFDEZKFZZXQOWMM-VQHVLOKHSA-N
MW155.20 g/mol
LogP1.37
Rot. Bonds1

About methyl 2-iminocyclohexane-1-carboxylate

methyl 2-iminocyclohexane-1-carboxylate (PubChem CID 57245408) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-iminocyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-iminocyclohexane-1-carboxylate
PubChem CID57245408
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-iminocyclohexane-1-carboxylate
SMILES[H]/N=C1\CCCCC1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3/b9-7+
InChIKeyFDEZKFZZXQOWMM-VQHVLOKHSA-N
XLogP1.37
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.37
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-iminocyclohexane-1-carboxylate?
The IUPAC name of methyl 2-iminocyclohexane-1-carboxylate (CID 57245408) is methyl 2-iminocyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-iminocyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-iminocyclohexane-1-carboxylate is [H]/N=C1\CCCCC1C(=O)OC.
What is the InChIKey of methyl 2-iminocyclohexane-1-carboxylate?
The InChIKey is FDEZKFZZXQOWMM-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3/b9-7+.
What are the key properties of methyl 2-iminocyclohexane-1-carboxylate?
methyl 2-iminocyclohexane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iminocyclohexane-1-carboxylate is sourced from PubChem (CID 57245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).