(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine

C11H15NO — CID 88926427

IUPAC(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESCC/C(Cc1ccccc1C)=N/O
InChIInChI=1S/C11H15NO/c1-3-11(12-13)8-10-7-5-4-6-9(10)2/h4-7,13H,3,8H2,1-2H3/b12-11-
InChIKeyPOFQRFFWVFWTLD-QXMHVHEDSA-N
MW177.25 g/mol
LogP2.78
Rot. Bonds3

About (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine

(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine (PubChem CID 88926427) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
PubChem CID88926427
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine
SMILESCC/C(Cc1ccccc1C)=N/O
InChIInChI=1S/C11H15NO/c1-3-11(12-13)8-10-7-5-4-6-9(10)2/h4-7,13H,3,8H2,1-2H3/b12-11-
InChIKeyPOFQRFFWVFWTLD-QXMHVHEDSA-N
XLogP2.78
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 ≤ 52.78
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

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1-methyl-2-(2,3,3-trichloroprop-2-enyl)benzene
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N-[1-(2-methylphenyl)propylidene]hydroxylamine
CID 130665567
2-(2-methylphenyl)-N-oxoacetamide
CID 89001397
ethane;(2-methylphenyl)methanethiol
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1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
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1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine (CID 88926427) is (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine is CC/C(Cc1ccccc1C)=N/O.
What is the InChIKey of (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine?
The InChIKey is POFQRFFWVFWTLD-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(12-13)8-10-7-5-4-6-9(10)2/h4-7,13H,3,8H2,1-2H3/b12-11-.
What are the key properties of (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine?
(NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(2-methylphenyl)butan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88926427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).