(cyclohexylideneamino) furan-2-carboxylate

C11H13NO3 — CID 11622568

IUPAC(cyclohexylideneamino) furan-2-carboxylate
SMILESO=C(ON=C1CCCCC1)c1ccco1
InChIInChI=1S/C11H13NO3/c13-11(10-7-4-8-14-10)15-12-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2
InChIKeyFRDLQVNJKCAVDK-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.76
Rot. Bonds2

About (cyclohexylideneamino) furan-2-carboxylate

(cyclohexylideneamino) furan-2-carboxylate (PubChem CID 11622568) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (cyclohexylideneamino) furan-2-carboxylate.

Molecular Properties

Compound Name(cyclohexylideneamino) furan-2-carboxylate
PubChem CID11622568
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(cyclohexylideneamino) furan-2-carboxylate
SMILESO=C(ON=C1CCCCC1)c1ccco1
InChIInChI=1S/C11H13NO3/c13-11(10-7-4-8-14-10)15-12-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2
InChIKeyFRDLQVNJKCAVDK-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyclohexylideneamino) furan-2-carboxylate?
The IUPAC name of (cyclohexylideneamino) furan-2-carboxylate (CID 11622568) is (cyclohexylideneamino) furan-2-carboxylate.
What is the SMILES notation for (cyclohexylideneamino) furan-2-carboxylate?
The canonical SMILES for (cyclohexylideneamino) furan-2-carboxylate is O=C(ON=C1CCCCC1)c1ccco1.
What is the InChIKey of (cyclohexylideneamino) furan-2-carboxylate?
The InChIKey is FRDLQVNJKCAVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-11(10-7-4-8-14-10)15-12-9-5-2-1-3-6-9/h4,7-8H,1-3,5-6H2.
What are the key properties of (cyclohexylideneamino) furan-2-carboxylate?
(cyclohexylideneamino) furan-2-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylideneamino) furan-2-carboxylate is sourced from PubChem (CID 11622568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).