3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione

C11H15NO3 — CID 103552347

IUPAC3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1C1(CO)CC1
InChIInChI=1S/C11H15NO3/c13-6-11(3-4-11)12-9(14)7-1-2-8(5-7)10(12)15/h7-8,13H,1-6H2
InChIKeyQDJJBPQBWIJFBZ-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.30
Rot. Bonds2

About 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione

3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 103552347) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID103552347
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(C2)C(=O)N1C1(CO)CC1
InChIInChI=1S/C11H15NO3/c13-6-11(3-4-11)12-9(14)7-1-2-8(5-7)10(12)15/h7-8,13H,1-6H2
InChIKeyQDJJBPQBWIJFBZ-UHFFFAOYSA-N
XLogP0.30
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione (CID 103552347) is 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(C2)C(=O)N1C1(CO)CC1.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is QDJJBPQBWIJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c13-6-11(3-4-11)12-9(14)7-1-2-8(5-7)10(12)15/h7-8,13H,1-6H2.
What are the key properties of 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione?
3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 209.24 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 103552347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).