methyl 2-methylprop-2-enoate;pyrrolidine

C9H17NO2 — CID 175574469

IUPACmethyl 2-methylprop-2-enoate;pyrrolidine
SMILESC1CCNC1.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.C4H9N/c1-4(2)5(6)7-3;1-2-4-5-3-1/h1H2,2-3H3;5H,1-4H2
InChIKeyYXCLBBZLAIKZIM-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds1

About methyl 2-methylprop-2-enoate;pyrrolidine

methyl 2-methylprop-2-enoate;pyrrolidine (PubChem CID 175574469) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;pyrrolidine.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;pyrrolidine
PubChem CID175574469
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-methylprop-2-enoate;pyrrolidine
SMILESC1CCNC1.C=C(C)C(=O)OC
InChIInChI=1S/C5H8O2.C4H9N/c1-4(2)5(6)7-3;1-2-4-5-3-1/h1H2,2-3H3;5H,1-4H2
InChIKeyYXCLBBZLAIKZIM-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;pyrrolidine?
The IUPAC name of methyl 2-methylprop-2-enoate;pyrrolidine (CID 175574469) is methyl 2-methylprop-2-enoate;pyrrolidine.
What is the SMILES notation for methyl 2-methylprop-2-enoate;pyrrolidine?
The canonical SMILES for methyl 2-methylprop-2-enoate;pyrrolidine is C1CCNC1.C=C(C)C(=O)OC.
What is the InChIKey of methyl 2-methylprop-2-enoate;pyrrolidine?
The InChIKey is YXCLBBZLAIKZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.C4H9N/c1-4(2)5(6)7-3;1-2-4-5-3-1/h1H2,2-3H3;5H,1-4H2.
What are the key properties of methyl 2-methylprop-2-enoate;pyrrolidine?
methyl 2-methylprop-2-enoate;pyrrolidine has a molecular weight of 171.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;pyrrolidine is sourced from PubChem (CID 175574469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).