methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate

C8H13NO2 — CID 20694536

IUPACmethyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCC(C)N1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-6-4-5-7(2)9(6)8(10)11-3/h7H,1,4-5H2,2-3H3
InChIKeyGNBXNFKJEWXEJY-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.75
Rot. Bonds

About methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate

methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate (PubChem CID 20694536) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate
PubChem CID20694536
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate
SMILESC=C1CCC(C)N1C(=O)OC
InChIInChI=1S/C8H13NO2/c1-6-4-5-7(2)9(6)8(10)11-3/h7H,1,4-5H2,2-3H3
InChIKeyGNBXNFKJEWXEJY-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-ethenylpyrrolidine-1-carboxylate
CID 13081452
1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, methyl ester
CID 11062814
2-Isopropenylpyrrolidine-1-carboxylic acid, methyl ester
CID 581983
Methyl 7-azabicyclo[2.2.1]hept-1-ene-7-carboxylate
CID 21188459
Methyl 2-methylidenepiperidine-1-carboxylate
CID 175106701
methyl (2R)-2-prop-2-enylpyrrolidine-1-carboxylate
CID 11715239
Methyl 2-(but-3-en-1-yl)pyrrolidine-1-carboxylate
CID 12064730
Ethyl 2-methylidenepyrrolidine-1-carboxylate
CID 15313147

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate (CID 20694536) is methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate is C=C1CCC(C)N1C(=O)OC.
What is the InChIKey of methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate?
The InChIKey is GNBXNFKJEWXEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6-4-5-7(2)9(6)8(10)11-3/h7H,1,4-5H2,2-3H3.
What are the key properties of methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate?
methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-methylidenepyrrolidine-1-carboxylate is sourced from PubChem (CID 20694536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).