2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide

C7H17NO2 — CID 15594927

IUPAC2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide
SMILESC=CC[N+](C)(C)CCO.[OH-]
InChIInChI=1S/C7H16NO.H2O/c1-4-5-8(2,3)6-7-9;/h4,9H,1,5-7H2,2-3H3;1H2/q+1;/p-1
InChIKeyDOCOGOVOPHEHJI-UHFFFAOYSA-M
MW147.22 g/mol
LogP0.06
Rot. Bonds4

About 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide

2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide (PubChem CID 15594927) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide
PubChem CID15594927
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide
SMILESC=CC[N+](C)(C)CCO.[OH-]
InChIInChI=1S/C7H16NO.H2O/c1-4-5-8(2,3)6-7-9;/h4,9H,1,5-7H2,2-3H3;1H2/q+1;/p-1
InChIKeyDOCOGOVOPHEHJI-UHFFFAOYSA-M
XLogP0.06
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide?
The IUPAC name of 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide (CID 15594927) is 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide?
The canonical SMILES for 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide is C=CC[N+](C)(C)CCO.[OH-].
What is the InChIKey of 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide?
The InChIKey is DOCOGOVOPHEHJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.H2O/c1-4-5-8(2,3)6-7-9;/h4,9H,1,5-7H2,2-3H3;1H2/q+1;/p-1.
What are the key properties of 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide?
2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide has a molecular weight of 147.22 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-prop-2-enylazanium hydroxide is sourced from PubChem (CID 15594927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).