O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine

C17H21NO — CID 144957240

IUPACO-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine
SMILESC=C/C=C(\C=C)C(C)(C)c1ccc(ON)c(C=C)c1
InChIInChI=1S/C17H21NO/c1-6-9-14(8-3)17(4,5)15-10-11-16(19-18)13(7-2)12-15/h6-12H,1-3,18H2,4-5H3/b14-9+
InChIKeyBKXBPXGYWCQUIO-NTEUORMPSA-N
MW255.36 g/mol
LogP4.16
Rot. Bonds6

About O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine

O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine (PubChem CID 144957240) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine
PubChem CID144957240
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameO-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine
SMILESC=C/C=C(\C=C)C(C)(C)c1ccc(ON)c(C=C)c1
InChIInChI=1S/C17H21NO/c1-6-9-14(8-3)17(4,5)15-10-11-16(19-18)13(7-2)12-15/h6-12H,1-3,18H2,4-5H3/b14-9+
InChIKeyBKXBPXGYWCQUIO-NTEUORMPSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine?
The IUPAC name of O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine (CID 144957240) is O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine.
What is the SMILES notation for O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine?
The canonical SMILES for O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine is C=C/C=C(\C=C)C(C)(C)c1ccc(ON)c(C=C)c1.
What is the InChIKey of O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine?
The InChIKey is BKXBPXGYWCQUIO-NTEUORMPSA-N. The full InChI is InChI=1S/C17H21NO/c1-6-9-14(8-3)17(4,5)15-10-11-16(19-18)13(7-2)12-15/h6-12H,1-3,18H2,4-5H3/b14-9+.
What are the key properties of O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine?
O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine has a molecular weight of 255.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-ethenyl-4-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]phenyl]hydroxylamine is sourced from PubChem (CID 144957240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).