N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine

C10H11NO — CID 5080488

IUPACN-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
SMILESC=C(C=Cc1ccccc1)NO
InChIInChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,11-12H,1H2
InChIKeyLGFSRMBRCNSYIY-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.19
Rot. Bonds3

About N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine

N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine (PubChem CID 5080488) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
PubChem CID5080488
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC NameN-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
SMILESC=C(C=Cc1ccccc1)NO
InChIInChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,11-12H,1H2
InChIKeyLGFSRMBRCNSYIY-UHFFFAOYSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.19
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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Related Compounds

[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
CID 102489190
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
1,5-diphenylpenta-1,4-dien-3-ylidenehydrazine
CID 154293202
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853
2-phenoxy-N'-[(3E)-4-phenylbuta-1,3-dien-2-yl]acetohydrazide
CID 2255949

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine?
The IUPAC name of N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine (CID 5080488) is N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine.
What is the SMILES notation for N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine?
The canonical SMILES for N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine is C=C(C=Cc1ccccc1)NO.
What is the InChIKey of N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine?
The InChIKey is LGFSRMBRCNSYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-9(11-12)7-8-10-5-3-2-4-6-10/h2-8,11-12H,1H2.
What are the key properties of N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine?
N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine has a molecular weight of 161.20 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine is sourced from PubChem (CID 5080488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).