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

C10H11NO — CID 6738838

IUPAC(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
SMILESC/C(C=Cc1ccccc1)=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-MVOABLDTSA-N
MW161.20 g/mol
LogP2.55
Rot. Bonds2

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

(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine (PubChem CID 6738838) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
PubChem CID6738838
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
SMILESC/C(C=Cc1ccccc1)=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-MVOABLDTSA-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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Related Compounds

(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
N-methyl-4-phenylbut-3-en-2-imine
CID 15325561
(Z)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531835
(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
N-[4-(3-chlorophenyl)but-3-en-2-ylidene]hydroxylamine
CID 85438917
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
CID 11111198
(E)-4-phenyl-N-[4-[[(E)-4-phenylbut-3-en-2-ylidene]amino]hexa-1,5-dien-3-yl]but-3-en-2-imine
CID 146321202
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine (CID 6738838) is (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine is C/C(C=Cc1ccccc1)=N\O.
What is the InChIKey of (NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine?
The InChIKey is OGVPVEBIPIJKEJ-MVOABLDTSA-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-(4-phenylbut-3-en-2-ylidene)hydroxylamine?
(NE)-N-(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-(4-phenylbut-3-en-2-ylidene)hydroxylamine is sourced from PubChem (CID 6738838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).