[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate

C17H18ClNO2 — CID 6339504

IUPAC[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate
SMILESO=C(O/N=C1/CCCC/C1=C\c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO2/c18-15-9-5-12(6-10-15)11-14-3-1-2-4-16(14)19-21-17(20)13-7-8-13/h5-6,9-11,13H,1-4,7-8H2/b14-11+,19-16-
InChIKeyKHXLGJRMKSRNOM-PSTUDBSHSA-N
MW303.79 g/mol
LogP4.61
Rot. Bonds3

About [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate

[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate (PubChem CID 6339504) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate
PubChem CID6339504
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate
SMILESO=C(O/N=C1/CCCC/C1=C\c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H18ClNO2/c18-15-9-5-12(6-10-15)11-14-3-1-2-4-16(14)19-21-17(20)13-7-8-13/h5-6,9-11,13H,1-4,7-8H2/b14-11+,19-16-
InChIKeyKHXLGJRMKSRNOM-PSTUDBSHSA-N
XLogP4.61
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.61
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate?
The IUPAC name of [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate (CID 6339504) is [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate.
What is the SMILES notation for [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate?
The canonical SMILES for [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate is O=C(O/N=C1/CCCC/C1=C\c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate?
The InChIKey is KHXLGJRMKSRNOM-PSTUDBSHSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-15-9-5-12(6-10-15)11-14-3-1-2-4-16(14)19-21-17(20)13-7-8-13/h5-6,9-11,13H,1-4,7-8H2/b14-11+,19-16-.
What are the key properties of [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate?
[(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate has a molecular weight of 303.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2E)-2-[(4-chlorophenyl)methylidene]cyclohexylidene]amino] cyclopropanecarboxylate is sourced from PubChem (CID 6339504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).