1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid

C11H18ClNO2 — CID 63148411

IUPAC1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESC=C(Cl)CN1CCC(CCC)(C(=O)O)C1
InChIInChI=1S/C11H18ClNO2/c1-3-4-11(10(14)15)5-6-13(8-11)7-9(2)12/h2-8H2,1H3,(H,14,15)
InChIKeyUUBFIJKKIPYYKE-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid

1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63148411) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63148411
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESC=C(Cl)CN1CCC(CCC)(C(=O)O)C1
InChIInChI=1S/C11H18ClNO2/c1-3-4-11(10(14)15)5-6-13(8-11)7-9(2)12/h2-8H2,1H3,(H,14,15)
InChIKeyUUBFIJKKIPYYKE-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
1-hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
1-[(4-chlorophenyl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55166742
1-(4-methylsulfanylbutyl)-3-propylpyrrolidine-3-carboxylic acid
CID 103090450
1-(3-methoxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152515
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63152235
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 107125715
3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
1-(5-cyano-5-methylhexyl)-3-propylpyrrolidine-3-carboxylic acid
CID 106713211
1-[4-(methylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63889960
1-[2-oxo-2-(propan-2-ylamino)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63140844
1-(3-ethoxy-2-hydroxypropyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63932595

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63148411) is 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid is C=C(Cl)CN1CCC(CCC)(C(=O)O)C1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is UUBFIJKKIPYYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-3-4-11(10(14)15)5-6-13(8-11)7-9(2)12/h2-8H2,1H3,(H,14,15).
What are the key properties of 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 231.72 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).