cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium

C15H22NO+ — CID 7937281

IUPACcyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1cccc(C[NH2+]C2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-2-10-17-15-9-5-6-13(11-15)12-16-14-7-3-4-8-14/h2,5-6,9,11,14,16H,1,3-4,7-8,10,12H2/p+1
InChIKeyQWZRJGGQGIVLMF-UHFFFAOYSA-O
MW232.35 g/mol
LogP2.26
Rot. Bonds6

About cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium

cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium (PubChem CID 7937281) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium
PubChem CID7937281
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Namecyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium
SMILESC=CCOc1cccc(C[NH2+]C2CCCC2)c1
InChIInChI=1S/C15H21NO/c1-2-10-17-15-9-5-6-13(11-15)12-16-14-7-3-4-8-14/h2,5-6,9,11,14,16H,1,3-4,7-8,10,12H2/p+1
InChIKeyQWZRJGGQGIVLMF-UHFFFAOYSA-O
XLogP2.26
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-3-prop-2-enylbenzene
CID 67362226
[3-[(2-chlorophenyl)methoxy]phenyl]methyl-cyclooctylazanium
CID 8620740
1-(cyclobutyloxymethyl)-3-prop-2-enoxybenzene
CID 153464042
4-hydroxybutyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937283
2-(2-hydroxyethoxy)ethyl-[(3-prop-2-enoxyphenyl)methyl]azanium
CID 7937291
N-[(3-prop-2-enoxyphenyl)methyl]prop-2-en-1-amine
CID 54849975
(3-prop-2-enoxyphenyl)azanium
CID 59822882
methylcyclohexane;prop-2-enoxybenzene
CID 144583061
N-cyclopropyl-2-[4-[(3-prop-2-enoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8851277
N-[(3-prop-2-enoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;dihydrochloride
CID 163327937
ethane;3-prop-2-enoxyaniline
CID 143673688
1-prop-2-enyl-3-propoxybenzene
CID 91655995

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium?
The IUPAC name of cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium (CID 7937281) is cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium.
What is the SMILES notation for cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium?
The canonical SMILES for cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium is C=CCOc1cccc(C[NH2+]C2CCCC2)c1.
What is the InChIKey of cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium?
The InChIKey is QWZRJGGQGIVLMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21NO/c1-2-10-17-15-9-5-6-13(11-15)12-16-14-7-3-4-8-14/h2,5-6,9,11,14,16H,1,3-4,7-8,10,12H2/p+1.
What are the key properties of cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium?
cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium has a molecular weight of 232.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3-prop-2-enoxyphenyl)methyl]azanium is sourced from PubChem (CID 7937281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).