1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H23NO2 — CID 106984528

IUPAC1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C14H23NO2/c1-11(2)14(13(16)17)8-9-15(10-14)12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,16,17)
InChIKeyDQBUTPQVQQLJRJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.53
Rot. Bonds3

About 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106984528) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106984528
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C2C=CCCC2)C1
InChIInChI=1S/C14H23NO2/c1-11(2)14(13(16)17)8-9-15(10-14)12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,16,17)
InChIKeyDQBUTPQVQQLJRJ-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.53
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

methyl (1R,6S)-6-methyl-2-pyrrolidin-1-ylcyclohex-3-ene-1-carboxylate
CID 134980810
1-Cyclohex-2-en-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114620436
2,3,5,8-tetrahydro-1H-pyrrolizine-1-carboxylic acid
CID 54086813
Dimethyl 2,7-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 141497974
1-(Cyclohex-3-ene-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144269
1-(Cyclohex-3-ene-1-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144851
1-(Cyclohex-3-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146467
1-But-3-en-2-yl-3-ethylpyrrolidine-3-carboxylic acid
CID 63148686
1-But-3-en-2-yl-3-propylpyrrolidine-3-carboxylic acid
CID 63148893
1-(Cyclohex-3-ene-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63719954
1-(Cyclohex-3-ene-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364363
1-But-3-en-2-yl-2-methylpyrrolidine-3-carboxylic acid
CID 79369309

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106984528) is 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is DQBUTPQVQQLJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)14(13(16)17)8-9-15(10-14)12-6-4-3-5-7-12/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 237.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106984528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).