(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine

C10H11NO — CID 134894626

IUPAC(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine
SMILESC=C(C/C=N/O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6,8,12H,1,7H2/b11-8+
InChIKeyJKDNIWQMPMPHNR-DHZHZOJOSA-N
MW161.20 g/mol
LogP2.55
Rot. Bonds3

About (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine

(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine (PubChem CID 134894626) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine
PubChem CID134894626
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine
SMILESC=C(C/C=N/O)c1ccccc1
InChIInChI=1S/C10H11NO/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6,8,12H,1,7H2/b11-8+
InChIKeyJKDNIWQMPMPHNR-DHZHZOJOSA-N
XLogP2.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3-phenylbut-3-enylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine (CID 134894626) is (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine is C=C(C/C=N/O)c1ccccc1.
What is the InChIKey of (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine?
The InChIKey is JKDNIWQMPMPHNR-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H11NO/c1-9(7-8-11-12)10-5-3-2-4-6-10/h2-6,8,12H,1,7H2/b11-8+.
What are the key properties of (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine?
(NE)-N-(3-phenylbut-3-enylidene)hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-phenylbut-3-enylidene)hydroxylamine is sourced from PubChem (CID 134894626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).