N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine

C9H10INO — CID 130979996

IUPACN-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine
SMILESCC(Cc1ccc(I)cc1)=NO
InChIInChI=1S/C9H10INO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3
InChIKeyALGKHHJXWJLADO-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.68
Rot. Bonds2

About N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine

N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine (PubChem CID 130979996) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine
PubChem CID130979996
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC NameN-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine
SMILESCC(Cc1ccc(I)cc1)=NO
InChIInChI=1S/C9H10INO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3
InChIKeyALGKHHJXWJLADO-UHFFFAOYSA-N
XLogP2.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

4-(2-hydroxyiminopropyl)phenol
CID 572036
N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
CID 74031282
(NZ)-N-[1-(4-methylphenyl)propan-2-ylidene]hydroxylamine
CID 91619623
(NZ)-N-[1-(4-fluorophenyl)propan-2-ylidene]hydroxylamine
CID 91620735
N-[1-(4-methylsulfanylphenyl)propan-2-ylidene]hydroxylamine
CID 75082432
N-[1-(4-methylsulfonylphenyl)propan-2-ylidene]hydroxylamine
CID 175084201
(NZ)-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495632
N-[1-(4-phenylmethoxyphenyl)propan-2-ylidene]hydroxylamine
CID 88750073
5-[(2E)-2-hydroxyiminopropyl]benzene-1,3-diol
CID 55250616
(NE)-N-[1-[4-(2-propan-2-yloxyethoxy)phenyl]propan-2-ylidene]hydroxylamine
CID 115495682
(NE)-N-[1-[4-(1-methoxypropan-2-yloxy)phenyl]propan-2-ylidene]hydroxylamine
CID 113323073
(NZ)-N-[1-(4-iodophenyl)ethylidene]hydroxylamine
CID 11470978

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine (CID 130979996) is N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine is CC(Cc1ccc(I)cc1)=NO.
What is the InChIKey of N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is ALGKHHJXWJLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,12H,6H2,1H3.
What are the key properties of N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine?
N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 275.09 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 130979996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).