(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine

C10H10ClNO — CID 6218184

IUPAC(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H10ClNO/c1-8(12-13)2-3-9-4-6-10(11)7-5-9/h2-7,13H,1H3/b3-2+,12-8+
InChIKeyYOUBYEFJHQOASU-NQPRBDNZSA-N
MW195.65 g/mol
LogP3.20
Rot. Bonds2

About (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine

(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine (PubChem CID 6218184) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
PubChem CID6218184
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccc(Cl)cc1)=N\O
InChIInChI=1S/C10H10ClNO/c1-8(12-13)2-3-9-4-6-10(11)7-5-9/h2-7,13H,1H3/b3-2+,12-8+
InChIKeyYOUBYEFJHQOASU-NQPRBDNZSA-N
XLogP3.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 53.20
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-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine (CID 6218184) is (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine is CC(/C=C/c1ccc(Cl)cc1)=N\O.
What is the InChIKey of (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine?
The InChIKey is YOUBYEFJHQOASU-NQPRBDNZSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-8(12-13)2-3-9-4-6-10(11)7-5-9/h2-7,13H,1H3/b3-2+,12-8+.
What are the key properties of (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine has a molecular weight of 195.65 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 6218184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).