N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine

C11H15NO — CID 134994662

IUPACN-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
SMILESC=C[C@H](C)[C@H](NO)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9(2)11(12-13)10-7-5-4-6-8-10/h3-9,11-13H,1H2,2H3/t9-,11-/m0/s1
InChIKeyYFCXAZRGAIDUFG-ONGXEEELSA-N
MW177.25 g/mol
LogP2.53
Rot. Bonds4

About N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine

N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine (PubChem CID 134994662) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
PubChem CID134994662
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine
SMILESC=C[C@H](C)[C@H](NO)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-9(2)11(12-13)10-7-5-4-6-8-10/h3-9,11-13H,1H2,2H3/t9-,11-/m0/s1
InChIKeyYFCXAZRGAIDUFG-ONGXEEELSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-but-3-en-2-yl-2-methyl-1-phenylpropan-1-amine
CID 115591753
penta-1,4-dien-3-ylbenzene
CID 15879286
N-[(1R,2S)-2-deuterio-2-methyl-1-phenylbut-3-enyl]benzenesulfonamide
CID 11781627
methyl 2-hydroxy-3-(hydroxyamino)-3-phenylpropanoate
CID 151638252
[but-3-en-2-yloxy(hydroperoxy)methyl]benzene
CID 10535811
N-ethenyl-2-methyl-4-phenylpent-2-en-3-amine
CID 89099160
benzene;1-phenylprop-2-en-1-ol
CID 174884403
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
N-(2-methyl-1-phenylpropyl)ethanethioamide
CID 121010251
dimethyl-(1-phenylprop-2-enyl)-propan-2-ylazanium chloride
CID 139432999
(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
CID 134858185
chloro-dimethyl-[(1S,2R)-2-methyl-1-phenylbut-3-enoxy]silane
CID 11379820

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine?
The IUPAC name of N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine (CID 134994662) is N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine.
What is the SMILES notation for N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine?
The canonical SMILES for N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine is C=C[C@H](C)[C@H](NO)c1ccccc1.
What is the InChIKey of N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine?
The InChIKey is YFCXAZRGAIDUFG-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9(2)11(12-13)10-7-5-4-6-8-10/h3-9,11-13H,1H2,2H3/t9-,11-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine?
N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine has a molecular weight of 177.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methyl-1-phenylbut-3-enyl]hydroxylamine is sourced from PubChem (CID 134994662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).