2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium

C10H20NO2+ — CID 23569837

IUPAC2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC(O)CO
InChIInChI=1S/C10H20NO2/c1-4-6-11(3,7-5-2)8-10(13)9-12/h4-5,10,12-13H,1-2,6-9H2,3H3/q+1
InChIKeyFGXAVSZDBBHXQY-UHFFFAOYSA-N
MW186.27 g/mol
LogP0.16
Rot. Bonds7

About 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium

2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium (PubChem CID 23569837) has the molecular formula C10H20NO2+ and a molecular weight of 186.27 g/mol. Its IUPAC name is 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Name2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium
PubChem CID23569837
Molecular FormulaC10H20NO2+
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium
SMILESC=CC[N+](C)(CC=C)CC(O)CO
InChIInChI=1S/C10H20NO2/c1-4-6-11(3,7-5-2)8-10(13)9-12/h4-5,10,12-13H,1-2,6-9H2,3H3/q+1
InChIKeyFGXAVSZDBBHXQY-UHFFFAOYSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
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 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The IUPAC name of 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium (CID 23569837) is 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium.
What is the SMILES notation for 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The canonical SMILES for 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium is C=CC[N+](C)(CC=C)CC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium?
The InChIKey is FGXAVSZDBBHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO2/c1-4-6-11(3,7-5-2)8-10(13)9-12/h4-5,10,12-13H,1-2,6-9H2,3H3/q+1.
What are the key properties of 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium?
2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium has a molecular weight of 186.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl-methyl-bis(prop-2-enyl)azanium is sourced from PubChem (CID 23569837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).