2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

C14H21NO2 — CID 18463283

IUPAC2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCCN1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H21NO2/c16-14(13-10-11-3-4-12(13)9-11)17-8-7-15-5-1-2-6-15/h3-4,11-13H,1-2,5-10H2
InChIKeySXTUNQXPADMNQE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.84
Rot. Bonds4

About 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 18463283) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID18463283
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESO=C(OCCN1CCCC1)C1CC2C=CC1C2
InChIInChI=1S/C14H21NO2/c16-14(13-10-11-3-4-12(13)9-11)17-8-7-15-5-1-2-6-15/h3-4,11-13H,1-2,5-10H2
InChIKeySXTUNQXPADMNQE-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22955728
2-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]oxyethyl (1S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 71023765
butyl (1S,2S,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11074293
4-hydroxybutyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22987067
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770501
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770545
ethyl (1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10899051
2-(bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethanesulfonate
CID 140586122
[4-hydroxy-3,3-bis(hydroxymethyl)butyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 174980269
4-methylpentyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012012
2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20826487
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23827018

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 18463283) is 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is O=C(OCCN1CCCC1)C1CC2C=CC1C2.
What is the InChIKey of 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is SXTUNQXPADMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(13-10-11-3-4-12(13)9-11)17-8-7-15-5-1-2-6-15/h3-4,11-13H,1-2,5-10H2.
What are the key properties of 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate?
2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 235.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 18463283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).