methyl 3-cyclohexyliminobutanoate

C11H19NO2 — CID 19796795

IUPACmethyl 3-cyclohexyliminobutanoate
SMILESCOC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3/b12-9+
InChIKeyNIDBTZXCCXDLOK-FMIVXFBMSA-N
MW197.28 g/mol
LogP2.34
Rot. Bonds3

About methyl 3-cyclohexyliminobutanoate

methyl 3-cyclohexyliminobutanoate (PubChem CID 19796795) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 3-cyclohexyliminobutanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyliminobutanoate
PubChem CID19796795
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 3-cyclohexyliminobutanoate
SMILESCOC(=O)C/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3/b12-9+
InChIKeyNIDBTZXCCXDLOK-FMIVXFBMSA-N
XLogP2.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 3-cyclohexyliminobutanoate?
The IUPAC name of methyl 3-cyclohexyliminobutanoate (CID 19796795) is methyl 3-cyclohexyliminobutanoate.
What is the SMILES notation for methyl 3-cyclohexyliminobutanoate?
The canonical SMILES for methyl 3-cyclohexyliminobutanoate is COC(=O)C/C(C)=N/C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyliminobutanoate?
The InChIKey is NIDBTZXCCXDLOK-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3/b12-9+.
What are the key properties of methyl 3-cyclohexyliminobutanoate?
methyl 3-cyclohexyliminobutanoate has a molecular weight of 197.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyliminobutanoate is sourced from PubChem (CID 19796795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).