6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone

C14H23NO2 — CID 71924713

IUPAC6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOCC1CCN(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H23NO2/c1-2-17-9-10-6-7-15(8-10)14(16)13-11-4-3-5-12(11)13/h10-13H,2-9H2,1H3
InChIKeyDPGSDKATJUEEQX-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.92
Rot. Bonds4

About 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone

6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 71924713) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID71924713
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOCC1CCN(C(=O)C2C3CCCC32)C1
InChIInChI=1S/C14H23NO2/c1-2-17-9-10-6-7-15(8-10)14(16)13-11-4-3-5-12(11)13/h10-13H,2-9H2,1H3
InChIKeyDPGSDKATJUEEQX-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone (CID 71924713) is 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone is CCOCC1CCN(C(=O)C2C3CCCC32)C1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DPGSDKATJUEEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-17-9-10-6-7-15(8-10)14(16)13-11-4-3-5-12(11)13/h10-13H,2-9H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 237.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71924713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).