(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid

C7H13NO3S — CID 168863072

IUPAC(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)/C=C\CN1CCCC1
InChIInChI=1S/C7H13NO3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h3,7H,1-2,4-6H2,(H,9,10,11)/b7-3-
InChIKeyHUOBGUYEDXVERT-CLTKARDFSA-N
MW191.25 g/mol
LogP0.48
Rot. Bonds3

About (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid

(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid (PubChem CID 168863072) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid.

Molecular Properties

Compound Name(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
PubChem CID168863072
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid
SMILESO=S(=O)(O)/C=C\CN1CCCC1
InChIInChI=1S/C7H13NO3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h3,7H,1-2,4-6H2,(H,9,10,11)/b7-3-
InChIKeyHUOBGUYEDXVERT-CLTKARDFSA-N
XLogP0.48
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-1,4-dipyrrolidin-1-ylbut-2-en-1-one
CID 126491189
(E)-1-amino-5-pyrrolidin-1-ylpent-3-en-2-one
CID 144995702
(E)-4-(azetidin-1-yl)but-2-en-1-ol
CID 177230653
1-[2-(amino-methyl-oxo-λ6-sulfanylidene)ethyl]pyrrolidine
CID 123989889
4-(3-ethylsulfonylprop-2-enyl)morpholine
CID 123509713
(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600
1-but-2-enylazetidine
CID 544280
(E)-5-methyl-1-pyrrolidin-1-ylhept-2-en-4-one
CID 146188205
(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
CID 14658329
1-[(E)-4-methoxybut-2-enyl]pyrrolidine
CID 176557900
1-(2-sulfinylethyl)pyrrolidine
CID 87082225
3-pyrrolidin-1-ylprop-1-en-1-one
CID 57238888

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid?
The IUPAC name of (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid (CID 168863072) is (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid.
What is the SMILES notation for (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid?
The canonical SMILES for (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid is O=S(=O)(O)/C=C\CN1CCCC1.
What is the InChIKey of (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid?
The InChIKey is HUOBGUYEDXVERT-CLTKARDFSA-N. The full InChI is InChI=1S/C7H13NO3S/c9-12(10,11)7-3-6-8-4-1-2-5-8/h3,7H,1-2,4-6H2,(H,9,10,11)/b7-3-.
What are the key properties of (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid?
(Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid has a molecular weight of 191.25 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyrrolidin-1-ylprop-1-ene-1-sulfonic acid is sourced from PubChem (CID 168863072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).