(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine

C12H15NO — CID 98298121

IUPAC(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c14-13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2/b13-12+/t11-/m1/s1
InChIKeyKEZSUWLEVRELGQ-GXZRWPEMSA-N
MW189.26 g/mol
LogP3.17
Rot. Bonds1

About (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine

(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine (PubChem CID 98298121) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
PubChem CID98298121
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine
SMILESO/N=C1\CCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c14-13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2/b13-12+/t11-/m1/s1
InChIKeyKEZSUWLEVRELGQ-GXZRWPEMSA-N
XLogP3.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.17
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-[(2R)-2-phenylcyclohexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine (CID 98298121) is (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine is O/N=C1\CCCC[C@@H]1c1ccccc1.
What is the InChIKey of (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine?
The InChIKey is KEZSUWLEVRELGQ-GXZRWPEMSA-N. The full InChI is InChI=1S/C12H15NO/c14-13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-7,11,14H,4-5,8-9H2/b13-12+/t11-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine?
(NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine has a molecular weight of 189.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2-phenylcyclohexylidene]hydroxylamine is sourced from PubChem (CID 98298121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).