3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone

C11H17NO3 — CID 106671271

IUPAC3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC2CC2C1)N1CC(O)C(O)C1
InChIInChI=1S/C11H17NO3/c13-9-4-12(5-10(9)14)11(15)8-2-6-1-7(6)3-8/h6-10,13-14H,1-5H2
InChIKeyZRDMHWKHJBCFPQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.40
Rot. Bonds1

About 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone

3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671271) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671271
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC2CC2C1)N1CC(O)C(O)C1
InChIInChI=1S/C11H17NO3/c13-9-4-12(5-10(9)14)11(15)8-2-6-1-7(6)3-8/h6-10,13-14H,1-5H2
InChIKeyZRDMHWKHJBCFPQ-UHFFFAOYSA-N
XLogP-0.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671271) is 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(C1CC2CC2C1)N1CC(O)C(O)C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is ZRDMHWKHJBCFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-9-4-12(5-10(9)14)11(15)8-2-6-1-7(6)3-8/h6-10,13-14H,1-5H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 211.26 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).