N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine

C14H18N4O2 — CID 135521882

IUPACN-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine
SMILESCC(C=NN=C(C)C(C)=NOCc1ccccc1)=NO
InChIInChI=1S/C14H18N4O2/c1-11(17-19)9-15-16-12(2)13(3)18-20-10-14-7-5-4-6-8-14/h4-9,19H,10H2,1-3H3
InChIKeyWYDNIESNPCHWLY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.88
Rot. Bonds6

About N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine

N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine (PubChem CID 135521882) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine
PubChem CID135521882
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine
SMILESCC(C=NN=C(C)C(C)=NOCc1ccccc1)=NO
InChIInChI=1S/C14H18N4O2/c1-11(17-19)9-15-16-12(2)13(3)18-20-10-14-7-5-4-6-8-14/h4-9,19H,10H2,1-3H3
InChIKeyWYDNIESNPCHWLY-UHFFFAOYSA-N
XLogP2.88
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

2-Propanone, O-(phenylmethyl)oxime
CID 18803
2-Hydroxy-4-(hydroxyimino)-2-phenylpentanal oxime
CID 9571476
Pyruvonitrile, O-benzyloxime
CID 6383759
2-Pentanone, 3-ethyl-3-hydroxy-, O-(phenylmethyl)oxime
CID 6509923
2-Hexanone, 3-hydroxy-3-propyl-, O-(phenylmethyl)oxime
CID 6510138
2-Hexanone, 3-hydroxy-3-methyl-, O-(phenylmethyl)oxime
CID 6510141
5-Phenylisoxazoline
CID 568817
Pentanal O-benzyloxime
CID 9602269
(E)-2-ethyl-N-[(1R)-1-phenylbutoxy]butan-1-imine
CID 10933832
(E)-2-phenyl-N-[(1R)-1-phenylbutoxy]ethanimine
CID 11054650
3-Methyl-2-oxido-5-phenyl-4,5-dihydro-1,2-oxazol-2-ium
CID 85607226
3-Butyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 102388730

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine (CID 135521882) is N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine is CC(C=NN=C(C)C(C)=NOCc1ccccc1)=NO.
What is the InChIKey of N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine?
The InChIKey is WYDNIESNPCHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11(17-19)9-15-16-12(2)13(3)18-20-10-14-7-5-4-6-8-14/h4-9,19H,10H2,1-3H3.
What are the key properties of N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine?
N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine has a molecular weight of 274.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylmethoxyiminobutan-2-ylidenehydrazinylidene)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135521882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).