1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid

C10H17NO2 — CID 79369309

IUPAC1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid
SMILESC=CC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H17NO2/c1-4-7(2)11-6-5-9(8(11)3)10(12)13/h4,7-9H,1,5-6H2,2-3H3,(H,12,13)
InChIKeyYFMICSFCWZYQAU-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds3

About 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid

1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79369309) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79369309
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid
SMILESC=CC(C)N1CCC(C(=O)O)C1C
InChIInChI=1S/C10H17NO2/c1-4-7(2)11-6-5-9(8(11)3)10(12)13/h4,7-9H,1,5-6H2,2-3H3,(H,12,13)
InChIKeyYFMICSFCWZYQAU-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid (CID 79369309) is 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid is C=CC(C)N1CCC(C(=O)O)C1C.
What is the InChIKey of 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YFMICSFCWZYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7(2)11-6-5-9(8(11)3)10(12)13/h4,7-9H,1,5-6H2,2-3H3,(H,12,13).
What are the key properties of 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid?
1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79369309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).