prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate

C10H17NO3 — CID 112627490

IUPACprop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-9(7-11)8(2)12/h3,8-9,12H,1,4-7H2,2H3
InChIKeySQOAREDEPPJKMK-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds3

About prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate

prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate (PubChem CID 112627490) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
PubChem CID112627490
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameprop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-9(7-11)8(2)12/h3,8-9,12H,1,4-7H2,2H3
InChIKeySQOAREDEPPJKMK-UHFFFAOYSA-N
XLogP1.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate (CID 112627490) is prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate is C=CCOC(=O)N1CCC(C(C)O)C1.
What is the InChIKey of prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate?
The InChIKey is SQOAREDEPPJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-6-14-10(13)11-5-4-9(7-11)8(2)12/h3,8-9,12H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate?
prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(1-hydroxyethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 112627490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).