[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

C14H23NO2 — CID 97100937

IUPAC[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@H]1CCN(C(=O)C2[C@H]3CCC[C@@H]23)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/t10-,11-,12+,13?/m0/s1
InChIKeyDPGSDKATJUEEQX-ACJTYDJDSA-N
MW237.34 g/mol
LogP1.92
Rot. Bonds4

About [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone

[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 97100937) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID97100937
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
SMILESCCOC[C@H]1CCN(C(=O)C2[C@H]3CCC[C@@H]23)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/t10-,11-,12+,13?/m0/s1
InChIKeyDPGSDKATJUEEQX-ACJTYDJDSA-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

Analyze [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

3-(ethoxymethyl)pyrrolidine-1-carbonyl chloride
CID 165496688
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119814328
7-bicyclo[4.1.0]heptanyl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340532
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81478563
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
7-bicyclo[4.1.0]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540418
(2S)-2-amino-1-[3-(ethoxymethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119341199

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone (CID 97100937) is [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is CCOC[C@H]1CCN(C(=O)C2[C@H]3CCC[C@@H]23)C1.
What is the InChIKey of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DPGSDKATJUEEQX-ACJTYDJDSA-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/t10-,11-,12+,13?/m0/s1.
What are the key properties of [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone?
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-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 [(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97100937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).