N-(2-methoxycarbonylcyclohexyl)ethanimidate

C10H16NO3- — CID 143433245

IUPACN-(2-methoxycarbonylcyclohexyl)ethanimidate
SMILESCOC(=O)C1CCCCC1/N=C(\C)[O-]
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h8-9H,3-6H2,1-2H3,(H,11,12)/p-1
InChIKeyBDHJVDJFIYEXFN-UHFFFAOYSA-M
MW198.24 g/mol
LogP0.50
Rot. Bonds2

About N-(2-methoxycarbonylcyclohexyl)ethanimidate

N-(2-methoxycarbonylcyclohexyl)ethanimidate (PubChem CID 143433245) has the molecular formula C10H16NO3- and a molecular weight of 198.24 g/mol. Its IUPAC name is N-(2-methoxycarbonylcyclohexyl)ethanimidate.

Molecular Properties

Compound NameN-(2-methoxycarbonylcyclohexyl)ethanimidate
PubChem CID143433245
Molecular FormulaC10H16NO3-
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC NameN-(2-methoxycarbonylcyclohexyl)ethanimidate
SMILESCOC(=O)C1CCCCC1/N=C(\C)[O-]
InChIInChI=1S/C10H17NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h8-9H,3-6H2,1-2H3,(H,11,12)/p-1
InChIKeyBDHJVDJFIYEXFN-UHFFFAOYSA-M
XLogP0.50
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycarbonylcyclohexyl)ethanimidate?
The IUPAC name of N-(2-methoxycarbonylcyclohexyl)ethanimidate (CID 143433245) is N-(2-methoxycarbonylcyclohexyl)ethanimidate.
What is the SMILES notation for N-(2-methoxycarbonylcyclohexyl)ethanimidate?
The canonical SMILES for N-(2-methoxycarbonylcyclohexyl)ethanimidate is COC(=O)C1CCCCC1/N=C(\C)[O-].
What is the InChIKey of N-(2-methoxycarbonylcyclohexyl)ethanimidate?
The InChIKey is BDHJVDJFIYEXFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H17NO3/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2/h8-9H,3-6H2,1-2H3,(H,11,12)/p-1.
What are the key properties of N-(2-methoxycarbonylcyclohexyl)ethanimidate?
N-(2-methoxycarbonylcyclohexyl)ethanimidate has a molecular weight of 198.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycarbonylcyclohexyl)ethanimidate is sourced from PubChem (CID 143433245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).