2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol

C12H17NO2 — CID 86253391

IUPAC2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(CO)N(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9-12(2,10-14)13(15)11-7-5-4-6-8-11/h3-8,14-15H,1,9-10H2,2H3
InChIKeyBJHJXANSXYKBAA-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.21
Rot. Bonds5

About 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol

2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol (PubChem CID 86253391) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol
PubChem CID86253391
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(CO)N(O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-3-9-12(2,10-14)13(15)11-7-5-4-6-8-11/h3-8,14-15H,1,9-10H2,2H3
InChIKeyBJHJXANSXYKBAA-UHFFFAOYSA-N
XLogP2.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R,3S)-2-(N-ethylanilino)-3-methylhex-5-en-3-ol
CID 178185639
2-phenylpent-4-en-2-yl acetate
CID 15164764
2-methyl-2-phenylmethoxypent-4-en-1-ol
CID 14683661
1-phenylbut-3-ene-1,1-diol
CID 134892936
[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
2-methyl-2-(N-methyl-4-phenylanilino)propan-1-ol
CID 115133254
2,2-dimethylpropane-1,3-diol;styrene
CID 159255061
(2R)-2-hydroxy-2-(N-hydroxyanilino)propanoic acid
CID 54323514
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
(2R,3S)-2-[N-(2-methoxyethyl)anilino]-3-methylhex-5-en-3-ol
CID 178185644

Frequently Asked Questions

What is the IUPAC name of 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol?
The IUPAC name of 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol (CID 86253391) is 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol.
What is the SMILES notation for 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol?
The canonical SMILES for 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol is C=CCC(C)(CO)N(O)c1ccccc1.
What is the InChIKey of 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol?
The InChIKey is BJHJXANSXYKBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-9-12(2,10-14)13(15)11-7-5-4-6-8-11/h3-8,14-15H,1,9-10H2,2H3.
What are the key properties of 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol?
2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol has a molecular weight of 207.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-hydroxyanilino)-2-methylpent-4-en-1-ol is sourced from PubChem (CID 86253391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).