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

C13H17NO — CID 125470084

IUPAC(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
SMILESO/N=C1\CCCCC[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c15-14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12,15H,2,5-6,9-10H2/b14-13+/t12-/m1/s1
InChIKeyOYAWGZAJTZOOHE-VEOJIXDASA-N
MW203.29 g/mol
LogP3.56
Rot. Bonds1

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

(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine (PubChem CID 125470084) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
PubChem CID125470084
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine
SMILESO/N=C1\CCCCC[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c15-14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12,15H,2,5-6,9-10H2/b14-13+/t12-/m1/s1
InChIKeyOYAWGZAJTZOOHE-VEOJIXDASA-N
XLogP3.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.56
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-phenylcycloheptylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine (CID 125470084) is (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine is O/N=C1\CCCCC[C@@H]1c1ccccc1.
What is the InChIKey of (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine?
The InChIKey is OYAWGZAJTZOOHE-VEOJIXDASA-N. The full InChI is InChI=1S/C13H17NO/c15-14-13-10-6-2-5-9-12(13)11-7-3-1-4-8-11/h1,3-4,7-8,12,15H,2,5-6,9-10H2/b14-13+/t12-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine?
(NE)-N-[(2R)-2-phenylcycloheptylidene]hydroxylamine has a molecular weight of 203.29 g/mol, XLogP of 3.56, 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-phenylcycloheptylidene]hydroxylamine is sourced from PubChem (CID 125470084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).