N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine

C13H15NO2 — CID 152760508

IUPACN-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCOC1=C(c2ccccc2)C(=NO)CCC1
InChIInChI=1S/C13H15NO2/c1-16-12-9-5-8-11(14-15)13(12)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKeyTXDUYFCXIQZREA-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.06
Rot. Bonds2

About N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine

N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine (PubChem CID 152760508) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine
PubChem CID152760508
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine
SMILESCOC1=C(c2ccccc2)C(=NO)CCC1
InChIInChI=1S/C13H15NO2/c1-16-12-9-5-8-11(14-15)13(12)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3
InChIKeyTXDUYFCXIQZREA-UHFFFAOYSA-N
XLogP3.06
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The IUPAC name of N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine (CID 152760508) is N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine is COC1=C(c2ccccc2)C(=NO)CCC1.
What is the InChIKey of N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
The InChIKey is TXDUYFCXIQZREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-16-12-9-5-8-11(14-15)13(12)10-6-3-2-4-7-10/h2-4,6-7,15H,5,8-9H2,1H3.
What are the key properties of N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine?
N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-phenylcyclohex-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 152760508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).