2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium

C8H14NO+ — CID 155792295

IUPAC2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CC(=C)O
InChIInChI=1S/C8H13NO/c1-5-6-9(3,4)7-8(2)10/h1H,2,6-7H2,3-4H3/p+1
InChIKeyGMMQSWGPFNJMSY-UHFFFAOYSA-O
MW140.21 g/mol
LogP0.77
Rot. Bonds3

About 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium

2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium (PubChem CID 155792295) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium.

Molecular Properties

Compound Name2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium
PubChem CID155792295
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)CC(=C)O
InChIInChI=1S/C8H13NO/c1-5-6-9(3,4)7-8(2)10/h1H,2,6-7H2,3-4H3/p+1
InChIKeyGMMQSWGPFNJMSY-UHFFFAOYSA-O
XLogP0.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium?
The IUPAC name of 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium (CID 155792295) is 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium.
What is the SMILES notation for 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium?
The canonical SMILES for 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium is C#CC[N+](C)(C)CC(=C)O.
What is the InChIKey of 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium?
The InChIKey is GMMQSWGPFNJMSY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13NO/c1-5-6-9(3,4)7-8(2)10/h1H,2,6-7H2,3-4H3/p+1.
What are the key properties of 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium?
2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium has a molecular weight of 140.21 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium is sourced from PubChem (CID 155792295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).