N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine

C13H17NO — CID 143411666

IUPACN-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
SMILESC/C=C(\C=C\c1ccc(CC)cc1)NO
InChIInChI=1S/C13H17NO/c1-3-11-5-7-12(8-6-11)9-10-13(4-2)14-15/h4-10,14-15H,3H2,1-2H3/b10-9+,13-4+
InChIKeyRQJQBRHROGYHMB-ZWNOIDMSSA-N
MW203.28 g/mol
LogP3.14
Rot. Bonds4

About N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine

N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine (PubChem CID 143411666) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
PubChem CID143411666
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine
SMILESC/C=C(\C=C\c1ccc(CC)cc1)NO
InChIInChI=1S/C13H17NO/c1-3-11-5-7-12(8-6-11)9-10-13(4-2)14-15/h4-10,14-15H,3H2,1-2H3/b10-9+,13-4+
InChIKeyRQJQBRHROGYHMB-ZWNOIDMSSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
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 N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine?
The IUPAC name of N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine (CID 143411666) is N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine.
What is the SMILES notation for N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine?
The canonical SMILES for N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine is C/C=C(\C=C\c1ccc(CC)cc1)NO.
What is the InChIKey of N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine?
The InChIKey is RQJQBRHROGYHMB-ZWNOIDMSSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-11-5-7-12(8-6-11)9-10-13(4-2)14-15/h4-10,14-15H,3H2,1-2H3/b10-9+,13-4+.
What are the key properties of N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine?
N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine has a molecular weight of 203.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-1-(4-ethylphenyl)penta-1,3-dien-3-yl]hydroxylamine is sourced from PubChem (CID 143411666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).