1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid

C9H15NO2 — CID 58293374

IUPAC1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-4-9(8(11)12)5-6-10(2)7-9/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyPOVOKHYKCGLHLC-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.97
Rot. Bonds3

About 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid

1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid (PubChem CID 58293374) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
PubChem CID58293374
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
SMILESC=CCC1(C(=O)O)CCN(C)C1
InChIInChI=1S/C9H15NO2/c1-3-4-9(8(11)12)5-6-10(2)7-9/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyPOVOKHYKCGLHLC-UHFFFAOYSA-N
XLogP0.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-((Tert-butoxy)carbonyl)-3-(prop-2-en-1-yl)pyrrolidine-3-carboxylic acid
CID 79421148
3-(1,1-Difluoroprop-2-enyl)pyrrolidine-1,3-dicarboxylic acid
CID 123745865
1-[(2R,3R)-4-fluoro-3-methylhex-5-en-2-yl]pyrrolidine-3-carboxylic acid
CID 173745315
1-But-3-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64314959
1-Pent-4-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64314960
1-Hept-6-enyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 113904349
3-(1,1-Difluoroprop-2-enyl)-1-methylpyrrolidine-3-carboxylic acid
CID 144129523
3-(Prop-2-en-1-yl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 165910169
1-Methyl-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 20798297
3-Prop-2-enylpyrrolidine-1,3-dicarboxylic acid
CID 21113251
(3R)-1,3-dimethyl-4-methylidenepyrrolidine-3-carboxylic acid
CID 57758708
(3S)-1,3-dimethyl-4-methylidenepyrrolidine-3-carboxylic acid
CID 57758727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid (CID 58293374) is 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid is C=CCC1(C(=O)O)CCN(C)C1.
What is the InChIKey of 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid?
The InChIKey is POVOKHYKCGLHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-9(8(11)12)5-6-10(2)7-9/h3H,1,4-7H2,2H3,(H,11,12).
What are the key properties of 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid?
1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 58293374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).