(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine

C13H16ClNO — CID 14276473

IUPAC(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-16/h5-8,11,16H,1-4,9H2/b15-13+
InChIKeyRLDHBPJLLDXGQM-FYWRMAATSA-N
MW237.73 g/mol
LogP3.90
Rot. Bonds2

About (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine

(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine (PubChem CID 14276473) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine
PubChem CID14276473
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H16ClNO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-16/h5-8,11,16H,1-4,9H2/b15-13+
InChIKeyRLDHBPJLLDXGQM-FYWRMAATSA-N
XLogP3.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine (CID 14276473) is (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine is O/N=C1\CCCCC1Cc1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine?
The InChIKey is RLDHBPJLLDXGQM-FYWRMAATSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15-16/h5-8,11,16H,1-4,9H2/b15-13+.
What are the key properties of (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine?
(NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine has a molecular weight of 237.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[(4-chlorophenyl)methyl]cyclohexylidene]hydroxylamine is sourced from PubChem (CID 14276473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).