N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine

C16H18ClNO — CID 173392403

IUPACN-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCC1(C)CC(C=Cc2ccc(Cl)cc2)=CC(=NO)C1
InChIInChI=1S/C16H18ClNO/c1-16(2)10-13(9-15(11-16)18-19)4-3-12-5-7-14(17)8-6-12/h3-9,19H,10-11H2,1-2H3
InChIKeySIKOHIPJJGCIPQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.93
Rot. Bonds2

About N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine

N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine (PubChem CID 173392403) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine
PubChem CID173392403
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine
SMILESCC1(C)CC(C=Cc2ccc(Cl)cc2)=CC(=NO)C1
InChIInChI=1S/C16H18ClNO/c1-16(2)10-13(9-15(11-16)18-19)4-3-12-5-7-14(17)8-6-12/h3-9,19H,10-11H2,1-2H3
InChIKeySIKOHIPJJGCIPQ-UHFFFAOYSA-N
XLogP4.93
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.93
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 N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine?
The IUPAC name of N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine (CID 173392403) is N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine?
The canonical SMILES for N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine is CC1(C)CC(C=Cc2ccc(Cl)cc2)=CC(=NO)C1.
What is the InChIKey of N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine?
The InChIKey is SIKOHIPJJGCIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-16(2)10-13(9-15(11-16)18-19)4-3-12-5-7-14(17)8-6-12/h3-9,19H,10-11H2,1-2H3.
What are the key properties of N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine?
N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine has a molecular weight of 275.78 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]hydroxylamine is sourced from PubChem (CID 173392403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).