(cyclohexylideneamino) cyclohexanecarboxylate

C13H21NO2 — CID 4948327

IUPAC(cyclohexylideneamino) cyclohexanecarboxylate
SMILESO=C(ON=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H21NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyPCIQGMDCJXFVQG-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.43
Rot. Bonds2

About (cyclohexylideneamino) cyclohexanecarboxylate

(cyclohexylideneamino) cyclohexanecarboxylate (PubChem CID 4948327) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (cyclohexylideneamino) cyclohexanecarboxylate.

Molecular Properties

Compound Name(cyclohexylideneamino) cyclohexanecarboxylate
PubChem CID4948327
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(cyclohexylideneamino) cyclohexanecarboxylate
SMILESO=C(ON=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H21NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyPCIQGMDCJXFVQG-UHFFFAOYSA-N
XLogP3.43
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
[(3,5-Dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate
CID 170173099
[[4-(2-Methylbutan-2-yl)cyclohexylidene]amino] 1-fluorocyclohexane-1-carboxylate
CID 170173459
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
cycloheptanone O-cyclohexylcarbonyloxime
CID 129750357
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
4-(Hydroxyimino)cyclohexane-1-carboxylic acid
CID 21569312
lithium (2Z)-3-cyclohexyl-2-hydroxyiminopropanoate
CID 23717149
3-cyclohexyl-4H-1,2-oxazol-5-one
CID 58226143
3-(cyclohexylmethyl)-4H-1,2-oxazol-5-one
CID 58226154
[(Z)-3-oxobutan-2-ylideneamino] cyclohexanecarboxylate
CID 58805765

Frequently Asked Questions

What is the IUPAC name of (cyclohexylideneamino) cyclohexanecarboxylate?
The IUPAC name of (cyclohexylideneamino) cyclohexanecarboxylate (CID 4948327) is (cyclohexylideneamino) cyclohexanecarboxylate.
What is the SMILES notation for (cyclohexylideneamino) cyclohexanecarboxylate?
The canonical SMILES for (cyclohexylideneamino) cyclohexanecarboxylate is O=C(ON=C1CCCCC1)C1CCCCC1.
What is the InChIKey of (cyclohexylideneamino) cyclohexanecarboxylate?
The InChIKey is PCIQGMDCJXFVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(11-7-3-1-4-8-11)16-14-12-9-5-2-6-10-12/h11H,1-10H2.
What are the key properties of (cyclohexylideneamino) cyclohexanecarboxylate?
(cyclohexylideneamino) cyclohexanecarboxylate has a molecular weight of 223.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylideneamino) cyclohexanecarboxylate is sourced from PubChem (CID 4948327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).