methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene

C9H15NO3 — CID 70179838

IUPACmethyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene
SMILESC=CC.COC(=O)C1CNC(=O)C1
InChIInChI=1S/C6H9NO3.C3H6/c1-10-6(9)4-2-5(8)7-3-4;1-3-2/h4H,2-3H2,1H3,(H,7,8);3H,1H2,2H3
InChIKeyYERWDVODCSGELA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.49
Rot. Bonds1

About methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene

methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene (PubChem CID 70179838) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene.

Molecular Properties

Compound Namemethyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene
PubChem CID70179838
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene
SMILESC=CC.COC(=O)C1CNC(=O)C1
InChIInChI=1S/C6H9NO3.C3H6/c1-10-6(9)4-2-5(8)7-3-4;1-3-2/h4H,2-3H2,1H3,(H,7,8);3H,1H2,2H3
InChIKeyYERWDVODCSGELA-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.49
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 methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene?
The IUPAC name of methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene (CID 70179838) is methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene.
What is the SMILES notation for methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene?
The canonical SMILES for methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene is C=CC.COC(=O)C1CNC(=O)C1.
What is the InChIKey of methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene?
The InChIKey is YERWDVODCSGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3.C3H6/c1-10-6(9)4-2-5(8)7-3-4;1-3-2/h4H,2-3H2,1H3,(H,7,8);3H,1H2,2H3.
What are the key properties of methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene?
methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene has a molecular weight of 185.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxopyrrolidine-3-carboxylate;prop-1-ene is sourced from PubChem (CID 70179838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).