methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate

C9H15NO2 — CID 59074890

IUPACmethyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate
SMILESC/C=C1\CCC(C(=O)OC)N1C
InChIInChI=1S/C9H15NO2/c1-4-7-5-6-8(10(7)2)9(11)12-3/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyKGYWMXDQQVUVHD-QPJJXVBHSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds1

About methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate

methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate (PubChem CID 59074890) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate
PubChem CID59074890
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate
SMILESC/C=C1\CCC(C(=O)OC)N1C
InChIInChI=1S/C9H15NO2/c1-4-7-5-6-8(10(7)2)9(11)12-3/h4,8H,5-6H2,1-3H3/b7-4+
InChIKeyKGYWMXDQQVUVHD-QPJJXVBHSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate (CID 59074890) is methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate is C/C=C1\CCC(C(=O)OC)N1C.
What is the InChIKey of methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate?
The InChIKey is KGYWMXDQQVUVHD-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-7-5-6-8(10(7)2)9(11)12-3/h4,8H,5-6H2,1-3H3/b7-4+.
What are the key properties of methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate?
methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-5-ethylidene-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 59074890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).