O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine

C13H19NO — CID 95439106

IUPACO-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine
SMILESCC(C)c1ccc(/C=C/CCON)cc1
InChIInChI=1S/C13H19NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-15-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+
InChIKeyGNLVAODKTOXPIN-HWKANZROSA-N
MW205.30 g/mol
LogP3.10
Rot. Bonds5

About O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine

O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine (PubChem CID 95439106) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine.

Molecular Properties

Compound NameO-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine
PubChem CID95439106
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameO-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine
SMILESCC(C)c1ccc(/C=C/CCON)cc1
InChIInChI=1S/C13H19NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-15-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+
InChIKeyGNLVAODKTOXPIN-HWKANZROSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 39238179
4-(4-propan-2-ylphenyl)but-3-ene-1-thiol
CID 170478133
N-ethyl-4-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 79592046
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
O-[(E)-4-(1H-pyrrol-3-yl)but-3-enyl]hydroxylamine
CID 82280145
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
N-[3-(4-propan-2-ylphenyl)prop-2-enyl]cyclopropanamine
CID 79348162
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193
1-chloro-4-[4-(4-propan-2-ylphenyl)buta-1,3-dienyl]benzene
CID 72540254
(E)-2-(4-propan-2-ylphenyl)ethenesulfonamide
CID 22750924
ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666

Frequently Asked Questions

What is the IUPAC name of O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine?
The IUPAC name of O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine (CID 95439106) is O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine.
What is the SMILES notation for O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine?
The canonical SMILES for O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine is CC(C)c1ccc(/C=C/CCON)cc1.
What is the InChIKey of O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine?
The InChIKey is GNLVAODKTOXPIN-HWKANZROSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)13-8-6-12(7-9-13)5-3-4-10-15-14/h3,5-9,11H,4,10,14H2,1-2H3/b5-3+.
What are the key properties of O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine?
O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine has a molecular weight of 205.30 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(E)-4-(4-propan-2-ylphenyl)but-3-enyl]hydroxylamine is sourced from PubChem (CID 95439106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).