1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid

C16H27NO2 — CID 114228010

IUPAC1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H27NO2/c1-2-10-16(15(18)19)11-12-17(13-16)14-8-6-4-3-5-7-9-14/h6,8,14H,2-5,7,9-13H2,1H3,(H,18,19)/b8-6-
InChIKeyYWXLNTLMNHYSET-VURMDHGXSA-N
MW265.40 g/mol
LogP3.45
Rot. Bonds4

About 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid

1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 114228010) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID114228010
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2/C=C\CCCCC2)C1
InChIInChI=1S/C16H27NO2/c1-2-10-16(15(18)19)11-12-17(13-16)14-8-6-4-3-5-7-9-14/h6,8,14H,2-5,7,9-13H2,1H3,(H,18,19)/b8-6-
InChIKeyYWXLNTLMNHYSET-VURMDHGXSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7Z)-1-azatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
CID 141162381
(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 141167389
1-But-3-en-2-yl-3-propylpyrrolidine-3-carboxylic acid
CID 63148893
1-But-3-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 64314728
1-Pent-4-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 64314729
1-But-2-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 76986462
1-Cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984528
1-Hept-6-enyl-3-propylpyrrolidine-3-carboxylic acid
CID 107007842
1-[(2E)-cyclooct-2-en-1-yl]-3-ethylpiperidine-3-carboxylic acid
CID 114228009
1-Cyclohex-2-en-1-yl-3-methylpyrrolidine-3-carboxylic acid
CID 114620432
1-Cyclohex-2-en-1-yl-3-ethylpyrrolidine-3-carboxylic acid
CID 114620433
1-Cyclohex-2-en-1-yl-3-propylpyrrolidine-3-carboxylic acid
CID 114620434

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid (CID 114228010) is 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2/C=C\CCCCC2)C1.
What is the InChIKey of 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is YWXLNTLMNHYSET-VURMDHGXSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-10-16(15(18)19)11-12-17(13-16)14-8-6-4-3-5-7-9-14/h6,8,14H,2-5,7,9-13H2,1H3,(H,18,19)/b8-6-.
What are the key properties of 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114228010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).