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

C10H11NO — CID 5324274

IUPAC(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccccc1)=N\O
InChIInChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3/b8-7+,11-9+
InChIKeyOGVPVEBIPIJKEJ-MFDVASPDSA-N
MW161.20 g/mol
LogP2.55
Rot. Bonds2

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

(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine (PubChem CID 5324274) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine
PubChem CID5324274
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine
SMILESCC(/C=C/c1ccccc1)=N\O
InChIInChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3/b8-7+,11-9+
InChIKeyOGVPVEBIPIJKEJ-MFDVASPDSA-N
XLogP2.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.55
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-phenylbut-3-en-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine (CID 5324274) is (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine is CC(/C=C/c1ccccc1)=N\O.
What is the InChIKey of (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine?
The InChIKey is OGVPVEBIPIJKEJ-MFDVASPDSA-N. The full InChI is InChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,12H,1H3/b8-7+,11-9+.
What are the key properties of (NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine?
(NE)-N-[(E)-4-phenylbut-3-en-2-ylidene]hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.55, 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-phenylbut-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 5324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).