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

C11H15NO — CID 74031282

IUPACN-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
SMILESCCc1ccc(CC(C)=NO)cc1
InChIInChI=1S/C11H15NO/c1-3-10-4-6-11(7-5-10)8-9(2)12-13/h4-7,13H,3,8H2,1-2H3
InChIKeyCKFWQYXGMYHVDR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.64
Rot. Bonds3

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

N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine (PubChem CID 74031282) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
PubChem CID74031282
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine
SMILESCCc1ccc(CC(C)=NO)cc1
InChIInChI=1S/C11H15NO/c1-3-10-4-6-11(7-5-10)8-9(2)12-13/h4-7,13H,3,8H2,1-2H3
InChIKeyCKFWQYXGMYHVDR-UHFFFAOYSA-N
XLogP2.64
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.64
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

4-(2-hydroxyiminopropyl)phenol
CID 572036
(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-iodophenyl)propan-2-ylidene]hydroxylamine
CID 130979996
(NE)-N-[1-(4-phenylphenyl)propan-2-ylidene]hydroxylamine
CID 15668083
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
1-(4-ethylphenyl)butane-2,3-dione
CID 83697691
1,4-diethylbenzene;ethane
CID 91207141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine (CID 74031282) is N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine is CCc1ccc(CC(C)=NO)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine?
The InChIKey is CKFWQYXGMYHVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-10-4-6-11(7-5-10)8-9(2)12-13/h4-7,13H,3,8H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine?
N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 74031282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).