1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid

C9H14BrNO2 — CID 63147801

IUPAC1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC=C(Br)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C9H14BrNO2/c1-7(10)5-11-4-3-9(2,6-11)8(12)13/h1,3-6H2,2H3,(H,12,13)
InChIKeyNGZDUTZRAACWMA-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.69
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147801) has the molecular formula C9H14BrNO2 and a molecular weight of 248.12 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147801
Molecular FormulaC9H14BrNO2
Molecular Weight248.12 g/mol
Exact Mass247.02
IUPAC Name1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESC=C(Br)CN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C9H14BrNO2/c1-7(10)5-11-4-3-9(2,6-11)8(12)13/h1,3-6H2,2H3,(H,12,13)
InChIKeyNGZDUTZRAACWMA-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
1-[2-[di(propan-2-yl)amino]-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63148071
3-methyl-1-[2-oxo-2-(pentan-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148953
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
CID 104808762
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63137029
3-methyl-1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148115
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63147801) is 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid is C=C(Br)CN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NGZDUTZRAACWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2/c1-7(10)5-11-4-3-9(2,6-11)8(12)13/h1,3-6H2,2H3,(H,12,13).
What are the key properties of 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 248.12 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).