1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid

C13H19NO3 — CID 136558034

IUPAC1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCC=CCC1
InChIInChI=1S/C13H19NO3/c15-12(10-6-3-1-2-4-7-10)14-9-5-8-11(14)13(16)17/h1-2,10-11H,3-9H2,(H,16,17)
InChIKeyHMEBDJKYHFIJEP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.81
Rot. Bonds2

About 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid

1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 136558034) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID136558034
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCC=CCC1
InChIInChI=1S/C13H19NO3/c15-12(10-6-3-1-2-4-7-10)14-9-5-8-11(14)13(16)17/h1-2,10-11H,3-9H2,(H,16,17)
InChIKeyHMEBDJKYHFIJEP-UHFFFAOYSA-N
XLogP1.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.81
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

(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
1-(4-aminocyclohexanecarbonyl)pyrrolidine-2-carboxylic acid
CID 61158042
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636
1-(1-acetylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64560305
1-[4-(difluoromethyl)cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 136556375

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 136558034) is 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CCC=CCC1.
What is the InChIKey of 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HMEBDJKYHFIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c15-12(10-6-3-1-2-4-7-10)14-9-5-8-11(14)13(16)17/h1-2,10-11H,3-9H2,(H,16,17).
What are the key properties of 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 136558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).