benzyl(pent-2-enyl)azanium hydroxide

C12H19NO — CID 139905470

IUPACbenzyl(pent-2-enyl)azanium hydroxide
SMILESCCC=CC[NH2+]Cc1ccccc1.[OH-]
InChIInChI=1S/C12H17N.H2O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h3-9,13H,2,10-11H2,1H3;1H2
InChIKeyXRGKQHILAHWBOO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.54
Rot. Bonds5

About benzyl(pent-2-enyl)azanium hydroxide

benzyl(pent-2-enyl)azanium hydroxide (PubChem CID 139905470) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is benzyl(pent-2-enyl)azanium hydroxide.

Molecular Properties

Compound Namebenzyl(pent-2-enyl)azanium hydroxide
PubChem CID139905470
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Namebenzyl(pent-2-enyl)azanium hydroxide
SMILESCCC=CC[NH2+]Cc1ccccc1.[OH-]
InChIInChI=1S/C12H17N.H2O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h3-9,13H,2,10-11H2,1H3;1H2
InChIKeyXRGKQHILAHWBOO-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl(3-methylbut-2-enyl)azanium bromide
CID 88642213
dibenzylazanium iodide
CID 15533239
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
benzyl(butyl)azanium fluoride
CID 161148971
2-(benzylazaniumyl)ethyl-diethylazanium
CID 6993599
anthracene;(E)-hex-3-ene;propane
CID 144562643
1,2-bis(but-1-enyl)benzene
CID 140975855
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
benzene;but-1-enylbenzene
CID 157481332
oxo-pent-2-enyl-phenylmethoxyphosphanium
CID 74601015
N-benzylpent-2-en-1-imine
CID 71349655
ethylcyclodecapentaene
CID 90861705

Frequently Asked Questions

What is the IUPAC name of benzyl(pent-2-enyl)azanium hydroxide?
The IUPAC name of benzyl(pent-2-enyl)azanium hydroxide (CID 139905470) is benzyl(pent-2-enyl)azanium hydroxide.
What is the SMILES notation for benzyl(pent-2-enyl)azanium hydroxide?
The canonical SMILES for benzyl(pent-2-enyl)azanium hydroxide is CCC=CC[NH2+]Cc1ccccc1.[OH-].
What is the InChIKey of benzyl(pent-2-enyl)azanium hydroxide?
The InChIKey is XRGKQHILAHWBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.H2O/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;/h3-9,13H,2,10-11H2,1H3;1H2.
What are the key properties of benzyl(pent-2-enyl)azanium hydroxide?
benzyl(pent-2-enyl)azanium hydroxide has a molecular weight of 193.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(pent-2-enyl)azanium hydroxide is sourced from PubChem (CID 139905470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).