N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine

C11H12N2O — CID 10726275

IUPACN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
SMILESON/C=C/C=C/C=N/c1ccccc1
InChIInChI=1S/C11H12N2O/c14-13-10-6-2-5-9-12-11-7-3-1-4-8-11/h1-10,13-14H/b5-2+,10-6+,12-9+
InChIKeyLHXRGNFMFFYCIN-OTEQVJCXSA-N
MW188.23 g/mol
LogP2.44
Rot. Bonds4

About N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine

N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine (PubChem CID 10726275) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
PubChem CID10726275
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine
SMILESON/C=C/C=C/C=N/c1ccccc1
InChIInChI=1S/C11H12N2O/c14-13-10-6-2-5-9-12-11-7-3-1-4-8-11/h1-10,13-14H/b5-2+,10-6+,12-9+
InChIKeyLHXRGNFMFFYCIN-OTEQVJCXSA-N
XLogP2.44
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;hydrochloride
CID 161064876
hydron;N-[(1E)-5-phenyliminopenta-1,3-dienyl]aniline;chloride
CID 174144711
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
N-phenylpenta-2,4-dien-1-imine
CID 123454989
(Z)-3-phenyliminoprop-1-en-1-amine
CID 118014655
(2E,4E)-N-phenylocta-2,4,7-trien-1-imine
CID 140586611
(E)-3-(4-bromophenyl)-N-phenylprop-2-en-1-imine
CID 135076458
hydron;N-[(E)-3-phenyliminoprop-1-enyl]aniline;chloride
CID 91997009
(E)-N,N'-diphenylpent-2-ene-1,5-diimine
CID 5473746
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
bromopalladium(1+);carbanide;N,N'-diphenylethane-1,2-diimine
CID 22968105
methyl 4-[(E)-3-phenyliminoprop-1-enyl]benzoate
CID 11514500

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine?
The IUPAC name of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine (CID 10726275) is N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine.
What is the SMILES notation for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine?
The canonical SMILES for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine is ON/C=C/C=C/C=N/c1ccccc1.
What is the InChIKey of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine?
The InChIKey is LHXRGNFMFFYCIN-OTEQVJCXSA-N. The full InChI is InChI=1S/C11H12N2O/c14-13-10-6-2-5-9-12-11-7-3-1-4-8-11/h1-10,13-14H/b5-2+,10-6+,12-9+.
What are the key properties of N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine?
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine has a molecular weight of 188.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]hydroxylamine is sourced from PubChem (CID 10726275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).