(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium

C8H16NO+ — CID 23269102

IUPAC(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium
SMILESC[N+](C)(C)C1C=CCC1O
InChIInChI=1S/C8H16NO/c1-9(2,3)7-5-4-6-8(7)10/h4-5,7-8,10H,6H2,1-3H3/q+1
InChIKeyPNBJIIKQMLEDDU-UHFFFAOYSA-N
MW142.22 g/mol
LogP0.38
Rot. Bonds1

About (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium

(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium (PubChem CID 23269102) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium.

Molecular Properties

Compound Name(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium
PubChem CID23269102
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium
SMILESC[N+](C)(C)C1C=CCC1O
InChIInChI=1S/C8H16NO/c1-9(2,3)7-5-4-6-8(7)10/h4-5,7-8,10H,6H2,1-3H3/q+1
InChIKeyPNBJIIKQMLEDDU-UHFFFAOYSA-N
XLogP0.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-Pyrrolidin-1-ylcyclohex-3-en-1-ol
CID 13606288
(1R,6R)-6-pyrrolidin-1-ylcyclohex-3-en-1-ol
CID 18600914
3-[Di(propan-2-yl)amino]pent-4-en-2-ol
CID 22975490
(E,2S,3R)-3-(diethylamino)hex-4-en-2-ol
CID 59083595
1-Methyl-5-prop-1-enylpyrrolidin-3-ol
CID 59936382
1-[Methyl(propyl)amino]hex-4-en-2-ol
CID 123404787
1-[2-Hydroxyethyl(methyl)amino]hept-4-en-2-ol
CID 123746106
1-Methyl-2,3,4,7-tetrahydroazepin-3-ol
CID 132129961
1-[2-hydroxypropyl-[(E)-pent-3-en-2-yl]amino]propan-2-ol
CID 163563193
Ethane;(1-methyl-2,5-dihydropyrrol-2-yl)methanol
CID 164922118
(5E)-8-methyl-1-(2-methylpropyl)-3,4,7,8-tetrahydro-2H-azocin-3-ol
CID 166682850
(2S,3R)-5-iodo-1,2-dimethyl-2,3,4,7-tetrahydroazepin-3-ol
CID 168224693

Frequently Asked Questions

What is the IUPAC name of (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium?
The IUPAC name of (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium (CID 23269102) is (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium.
What is the SMILES notation for (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium?
The canonical SMILES for (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium is C[N+](C)(C)C1C=CCC1O.
What is the InChIKey of (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium?
The InChIKey is PNBJIIKQMLEDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO/c1-9(2,3)7-5-4-6-8(7)10/h4-5,7-8,10H,6H2,1-3H3/q+1.
What are the key properties of (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium?
(5-hydroxycyclopent-2-en-1-yl)-trimethylazanium has a molecular weight of 142.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxycyclopent-2-en-1-yl)-trimethylazanium is sourced from PubChem (CID 23269102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).