N-(2-methyl-3-phenylpropylidene)hydroxylamine

C10H13NO — CID 88518263

IUPACN-(2-methyl-3-phenylpropylidene)hydroxylamine
SMILESCC(C=NO)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(8-11-12)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3
InChIKeyXGHGGSZCPDWEGA-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.33
Rot. Bonds3

About N-(2-methyl-3-phenylpropylidene)hydroxylamine

N-(2-methyl-3-phenylpropylidene)hydroxylamine (PubChem CID 88518263) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(2-methyl-3-phenylpropylidene)hydroxylamine.

Molecular Properties

Compound NameN-(2-methyl-3-phenylpropylidene)hydroxylamine
PubChem CID88518263
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(2-methyl-3-phenylpropylidene)hydroxylamine
SMILESCC(C=NO)Cc1ccccc1
InChIInChI=1S/C10H13NO/c1-9(8-11-12)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3
InChIKeyXGHGGSZCPDWEGA-UHFFFAOYSA-N
XLogP2.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.33
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

N-(2-methyl-4-phenylpentylidene)hydroxylamine
CID 88619185
[(E)-(2-methyl-3-phenylpropylidene)amino]urea
CID 121221650
2,4-dimethyl-5-phenylpent-2-enoic acid
CID 76793021
[(E,2R)-5-bromo-2,4-dimethylpent-3-enyl]benzene
CID 11097089
(2R)-2-methyl-3-phenylpropan-1-imine
CID 59990579
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2S)-2-methyl-3-phenylpropanal;(2S)-2-methyl-3-phenylpropan-1-ol
CID 91547293
formic acid;2-methylpropylbenzene
CID 162001374
(2S)-2-methyl-3-[4-(2-phenylethyl)phenyl]propanal
CID 167484075
ethane;2-methylpropylbenzene
CID 162200929
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
dihydroxy-methyl-(1-phenylpropan-2-yl)azanium hydroxide
CID 88698324

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-phenylpropylidene)hydroxylamine?
The IUPAC name of N-(2-methyl-3-phenylpropylidene)hydroxylamine (CID 88518263) is N-(2-methyl-3-phenylpropylidene)hydroxylamine.
What is the SMILES notation for N-(2-methyl-3-phenylpropylidene)hydroxylamine?
The canonical SMILES for N-(2-methyl-3-phenylpropylidene)hydroxylamine is CC(C=NO)Cc1ccccc1.
What is the InChIKey of N-(2-methyl-3-phenylpropylidene)hydroxylamine?
The InChIKey is XGHGGSZCPDWEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-9(8-11-12)7-10-5-3-2-4-6-10/h2-6,8-9,12H,7H2,1H3.
What are the key properties of N-(2-methyl-3-phenylpropylidene)hydroxylamine?
N-(2-methyl-3-phenylpropylidene)hydroxylamine has a molecular weight of 163.22 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-phenylpropylidene)hydroxylamine is sourced from PubChem (CID 88518263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).