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

C11H19NO2 — CID 63148686

IUPAC1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid
SMILESC=CC(C)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-4-9(3)12-7-6-11(5-2,8-12)10(13)14/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyYFFRKPBPRHECCM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

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

1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid (PubChem CID 63148686) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid
PubChem CID63148686
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid
SMILESC=CC(C)N1CCC(CC)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-4-9(3)12-7-6-11(5-2,8-12)10(13)14/h4,9H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyYFFRKPBPRHECCM-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
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-[(2R,3R)-4-fluoro-3-methylhex-5-en-2-yl]pyrrolidine-3-carboxylic acid
CID 173745315
1-But-3-en-2-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708383
3-(1,1-Difluoroprop-2-enyl)-1-methylpyrrolidine-3-carboxylic acid
CID 144129523
3-Prop-2-enylpyrrolidine-1,3-dicarboxylic acid
CID 21113251
1-Methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 58293374
Ethane;1-methyl-3-prop-2-enylpyrrolidine-3-carboxylic acid
CID 123909375
(3S)-1-hex-5-en-3-ylpyrrolidine-3-carboxylic acid
CID 170007899
1-But-3-en-2-ylpyrrolidine-3-carboxylic acid
CID 63031170
1-But-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-But-3-en-2-yl-4-ethylpiperidine-4-carboxylic acid
CID 63126273
3-Ethyl-1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63144645
1-But-3-enoyl-3-ethylpyrrolidine-3-carboxylic acid
CID 63144647

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid (CID 63148686) is 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid is C=CC(C)N1CCC(CC)(C(=O)O)C1.
What is the InChIKey of 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid?
The InChIKey is YFFRKPBPRHECCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9(3)12-7-6-11(5-2,8-12)10(13)14/h4,9H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid?
1-but-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 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-3-ethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).